SCHEMBL23718068

SCHEMBL23718068

CC(=O)Cc1ccc(C(C)C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
DEGS1 O15121 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP5 P45974 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL14162935 0.86 NPC1 (0.47) ESR1ESR2DEGS1KDM4EMAPK1
SCHEMBL24535941 0.84 ESR1 (0.42) ESR1ESR2DEGS1KDM4EMAPK1
SCHEMBL24760555 0.84 CYP1A2 (0.47) ESR1ESR2DEGS1KDM4EMAPK1
SCHEMBL8271435 0.81 RAB9A (0.42) ESR1ESR2DEGS1KDM4ENPC1
SCHEMBL17658912 0.79 SMN1; SMN2 (0.44) ESR1ESR2DEGS1NPC1RAB9A
SCHEMBL17658861 0.79 SMN1; SMN2 (0.42) ESR1ESR2KDM4ENPC1RAB9A
SCHEMBL13466411 0.78 NPSR1 (0.49) ESR1ESR2KDM4ENPC1RAB9A
SCHEMBL11099285 0.77 ESR1 (0.49) ESR1ESR2DEGS1
SCHEMBL5102670 0.77 ESR1 (0.44) ESR1ESR2KDM4EMAPK1NPC1
SCHEMBL13466416 0.77 ESR1 (0.36) ESR1ESR2KDM4EMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
WO-2022262789-A1 ANTITUMOR COMPOUND AND USE THEREOF 明慧医药(杭州)有限公司 2022-12-22 WO disclosed
US-20210238226-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-08-05 US disclosed
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 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 (3 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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 ESR1 1163/4885ESR2 1263/4885DEGS1 3135/4885
US-20210238226-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE ATXN2L, ATXN2, ATXN10 ESR1 3826/4885ESR2 2230/4885DEGS1 3419/4885
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS ESR1 3792/4885ESR2 3383/4885DEGS1 1516/4885

“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.