SCHEMBL101938

SCHEMBL101938

CC(C)CC1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 2/20 0.33
KDM1A O60341 1/20 0.33
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23178869 0.89 SLC18A3 (0.35) SLC18A3ALDH1A1KDM4EKMT2AHTT
SCHEMBL10052292 0.82 ARG1 (0.37) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL10092707 0.82 DRD2 (0.42) GNAI3GNAO1GNAI1
SCHEMBL12308359 0.81 SLC18A3 (0.39) SLC18A3ALDH1A1KDM4EKMT2AHTT
SCHEMBL8245487 0.80 NCF1 (0.34) CARM1PRMT6PRMT1PRMT8GNAI3
SCHEMBL25075208 0.80 NCF1 (0.39) ALDH1A1CARM1PRMT6PRMT1PRMT8
SCHEMBL8252286 0.80 CYP1A2 (0.40) ALDH1A1KMT2ACARM1PRMT6PRMT1
SCHEMBL19147260 0.80 TP53 (0.37) ALDH1A1KMT2ALMNACARM1PRMT6
SCHEMBL27425082 0.79 ACHE (0.34) CARM1PRMT6PRMT1PRMT8
SCHEMBL25075441 0.78 PRMT6 (0.33) HTTCARM1PRMT6PRMT1PRMT8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-07-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-15 US disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-09 US disclosed
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-08-05 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
US-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION UNIV MICHIGAN REGENTS (US) 2021-05-06 US disclosed
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2020-05-21 US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-8791112-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-07-29 US disclosed
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2013-04-25 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 US disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
US-8017638-B2 Isoxazole derivative and isothiazole derivative having inhibitory activity on 11β-hydroxysteroid dehydrogenase type 1 SHIONOGI & CO., LTD. (JP) 2011-09-13 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 SLC18A3 1755/4885ALDH1A1 1032/4885KDM4E 223/4885
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS KDM1A, KDM4A, KDM1B SLC18A3 2150/4885ALDH1A1 329/4885KDM4E 13/4885
US-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 SLC18A3 4783/4885ALDH1A1 1698/4885KDM4E 1257/4885
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 SLC18A3 4846/4885ALDH1A1 369/4885KDM4E 2326/4885
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS KDM1A, KDM1B, KDM2A SLC18A3 2700/4885ALDH1A1 1672/4885KDM4E 16/4885
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS SLC18A3 4634/4885ALDH1A1 349/4885KDM4E 4054/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK SLC18A3 3239/4885ALDH1A1 1744/4885KDM4E 3345/4885
US-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION WDR5, MLLT1, WDR1 SLC18A3 4743/4885ALDH1A1 3807/4885KDM4E 95/4885
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 SLC18A3 1973/4885ALDH1A1 203/4885KDM4E 2542/4885
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors KDM1A, KDM1B, KDM2A SLC18A3 2700/4885ALDH1A1 1672/4885KDM4E 16/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS SLC18A3 4634/4885ALDH1A1 349/4885KDM4E 4054/4885
US-11691989-B2 Macrocyclic indoles as Mcl-1 inhibitors MCL1, BCL2A1, BCL2L1 SLC18A3 4418/4885ALDH1A1 370/4885KDM4E 1036/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 SLC18A3 4824/4885ALDH1A1 4808/4885KDM4E 288/4885
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 SLC18A3 3795/4885ALDH1A1 4672/4885KDM4E 1131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.