SCHEMBL23995682

SCHEMBL23995682

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 5/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2D6 P10635 6/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 4/20 0.35
USP2 O75604 3/20 0.35
HPGD P15428 3/20 0.35
CYP1A2 P05177 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL25810408 0.84 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL25408560 0.83 FFAR3 (0.32) ALDH1A1MAPK1CYP2C19CYP3A4HIF1A
SCHEMBL21134521 0.79 CYP3A4 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL21078057 0.79 CYP3A4 (0.47) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL13827674 0.79
SCHEMBL23345238 0.78 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL24279550 0.77 CYP3A4 (0.46) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL5518371 0.75 CYP1A2 (0.48) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL18390599 0.74 CYP1A2 (0.54) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19
SCHEMBL19534271 0.74 CYP1A2 (0.43) SMN1; SMN2KDM4EALDH1A1MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
WO-2022146698-A1 SOS1 INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-07-07 WO disclosed
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 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 (2 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-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 SMN1; SMN2 375/4885KDM4E 4779/4885ALDH1A1 3199/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 SMN1; SMN2 432/4885KDM4E 4659/4885ALDH1A1 3594/4885

“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.