SCHEMBL17250048

SCHEMBL17250048

CC(C)NCCC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
OPRL1 P41146 9/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.34
PDE4D Q08499 1/20 0.32
BCHE P06276 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
SCHEMBL23583681 0.88 HTR5A (0.33) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL8396257 0.84
SCHEMBL20666382 0.82 MEN1 (0.45) MEN1KMT2ABCHE
SCHEMBL12403210 0.82 MEN1 (0.41) MEN1KMT2ABCHE
SCHEMBL14176596 0.80 MEN1 (0.47) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL24170951 0.79 NAMPT (0.34) MEN1KMT2A
SCHEMBL24170961 0.79 NAMPT (0.34) MEN1KMT2A
SCHEMBL22151774 0.78 MEN1 (0.30) MEN1KMT2A
SCHEMBL8222741 0.78 PIK3CD (0.36) KDM1APIK3CD
SCHEMBL10153790 0.76 SIGMAR1 (0.42) KDM1AMAOAMAOBCHRM2CHRM1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed
US-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists MERCK SHARP & DOHME LLC (US) 2022-11-15 US disclosed
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2021-02-25 US disclosed
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 US disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20150322064-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2015-11-12 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 (9 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-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MLX, MMP12, SLC11A2 KDM1A 1093/4885MAOA 177/4885MAOB 180/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB KDM1A 2168/4885MAOA 2884/4885MAOB 2382/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT KDM1A 28/4885MAOA 12/4885MAOB 14/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB KDM1A 2168/4885MAOA 2884/4885MAOB 2382/4885
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 KDM1A 4631/4885MAOA 3503/4885MAOB 2914/4885
US-20150322064-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB KDM1A 4081/4885MAOA 1194/4885MAOB 1215/4885
US-11498923-B2 Substituted imidazo[1,2-c]quinazolines as A2A antagonists ADORA2A, ADORA3, ADORA1 KDM1A 2122/4885MAOA 94/4885MAOB 159/4885
US-20210053973-A1 IMIDAZO[1,2-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 KDM1A 1966/4885MAOA 93/4885MAOB 175/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 KDM1A 1093/4885MAOA 177/4885MAOB 180/4885

“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.