SCHEMBL31493504

SCHEMBL31493504

C[C@@H](c1ccccc1)N1CC[C@]2(CCNC2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.63
USP2 O75604 7/20 0.63
CYP3A4 P08684 7/20 0.63
CYP2C9 P11712 3/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 5/20 0.54
TP53 P04637 2/20 0.51
ALOX15 P16050 2/20 0.51
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRL1 P41146 2/20 0.48
MC4R P32245 1/20 0.44
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
Hydrochloric Acid SCHEMBL20455801 0.84 USP2 (0.49) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL20455787 0.83 USP2 (0.48) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
SCHEMBL9009194 0.80 CYP2D6 (0.55) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL2334345 0.79 CYP2D6 (0.53) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
SCHEMBL20469057 0.77 OGA (0.52) OPRM1
SCHEMBL30490313 0.77 CYP3A4 (0.81) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
SCHEMBL19347110 0.77 CYP2D6 (0.84) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
SCHEMBL19341580 0.77 CYP2D6 (1.00) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
SCHEMBL10260816 0.76 TSHR (0.51) CYP2D6USP2CYP3A4CYP2C9ALDH1A1
SCHEMBL19341569 0.76 CYP2D6 (0.83) CYP2D6USP2CYP3A4CYP2C9ALDH1A1

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
WO-2025076071-A2 SYNTHESIS OF RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-04-10 WO disclosed
US-20250115551-A1 SYNTHESIS OF RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-04-10 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 (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-20250115551-A1 SYNTHESIS OF RAS INHIBITORS KRAS, NRAS, HRAS CYP2D6 2356/4885USP2 973/4885CYP3A4 2699/4885

“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.