SCHEMBL32687883

SCHEMBL32687883

COc1ccc(CN(CC2(NC(=O)OC(C)(C)C)CCC2)C(=O)[C@H](C)Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.45
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPIA P62937 1/20 0.36
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
PTGES O14684 1/20 0.36
HTRA1 Q92743 1/20 0.36
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
P2RX7 Q99572 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL32687398 1.00 CACNA1B (0.45) CACNA1BALDH1A1HTTSMN1; SMN2PPIA
SCHEMBL32687808 0.87 PTGES (0.40) ALDH1A1HTTSMN1; SMN2MCHR1HRH3
Hydrochloric Acid SCHEMBL32687175 0.77 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2MCHR1HRH3
Hydrochloric Acid SCHEMBL32687297 0.77 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2MCHR1HRH3
SCHEMBL19096829 0.76 GPR119 (0.44) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL19096830 0.76 GPR119 (0.44) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL32687673 0.75 ANPEP (0.43) CACNA1BALDH1A1SMN1; SMN2PPIALMNA
SCHEMBL26388320 0.68 PPIA (0.43) CACNA1BALDH1A1HTTSMN1; SMN2PPIA
SCHEMBL25629322 0.68 CACNA1B (0.53) CACNA1BALDH1A1HTTSMN1; SMN2PPARG
SCHEMBL34473372 0.68 CTSL (0.47) ALDH1A1PTGESLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078134-A1 Macrocyclic Compounds as RAS Inhibitors BEONE MEDICINES I GMBH (CH) 2026-03-19 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-20260078134-A1 Macrocyclic Compounds as RAS Inhibitors NRAS, KRAS, HRAS CACNA1B 1137/4885ALDH1A1 2557/4885HTT 1529/4885

“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.