SCHEMBL25009341

SCHEMBL25009341

CC(=O)N1CC2(CCC(C(C)C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 4/20 0.36
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2D6 P10635 5/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.35
HIF1A Q16665 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CYP2C9 P11712 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL24007479 0.85 SMN1; SMN2 (0.44) SMN1; SMN2CYP3A4KDM4EEPHX2ALDH1A1
SCHEMBL15984372 0.84 OPRL1 (0.36) ALDH1A1CYP2C19CYP2D6TSHRCYP1A2
SCHEMBL14670913 0.82 MEN1 (0.38) SMN1; SMN2ALDH1A1CYP2D6CYP1A2HRH3
SCHEMBL14670918 0.81 CYP2C9 (0.48) CYP3A4ALDH1A1CYP2C19CYP2D6TSHR
SCHEMBL16375282 0.80 JAK3 (0.35) HRH3
SCHEMBL18256186 0.79 CYP3A4 (0.43) CYP3A4KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL23240355 0.79 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4KDM4EEPHX2ALDH1A1
SCHEMBL14671004 0.78 OPRM1 (0.33) KDM4EHRH3
SCHEMBL24574461 0.77 CYP2C9 (0.40) CYP3A4KDM4EEPHX2ALDH1A1MAPK1
SCHEMBL22200882 0.77 HPGD (0.39) SMN1; SMN2EPHX2ALDH1A1MAPK1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO 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 (1 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-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 SMN1; SMN2 3994/4885CYP3A4 428/4885KDM4E 768/4885

“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.