SCHEMBL3697362

SCHEMBL3697362

CCOC(=O)CN(CCCN1CCOCC1)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
GPR55 Q9Y2T6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APAF1 O14727 3/20 0.40
CASP3 P42574 3/20 0.40
CASP9 P55211 3/20 0.40
CYCS P99999 3/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5956246 0.94 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EOPRM1
SCHEMBL3696941 0.93 OPRM1 (0.43) ALDH1A1GAASMN1; SMN2OPRM1OPRD1
SCHEMBL5956037 0.91 APAF1 (0.51) ALDH1A1GAASMN1; SMN2KDM4EOPRM1
SCHEMBL3695250 0.90 APAF1 (0.46) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3699248 0.90 APAF1 (0.46) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3703436 0.90 APAF1 (0.40) ALDH1A1GAASMN1; SMN2KDM4EMEN1
SCHEMBL3697463 0.89 OPRM1 (0.43) ALDH1A1GAASMN1; SMN2KDM4EOPRM1
SCHEMBL3699199 0.88 APAF1 (0.47) ALDH1A1GAASMN1; SMN2OPRM1OPRD1
SCHEMBL3699236 0.88 APAF1 (0.42) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3701525 0.88 APAF1 (0.44) ALDH1A1GAASMN1; SMN2MEN1KMT2A

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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 ALDH1A1 701/4885GAA 2164/4885SMN1; SMN2 2020/4885

“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.