SCHEMBL3697463

SCHEMBL3697463

CCOC(=O)CN(CCCN1CCOCC1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
ALDH1A1 P00352 7/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3708029 0.89 MAPT (0.35) OPRM1OPRD1ALDH1A1GAASMN1; SMN2
SCHEMBL3697362 0.89 ALDH1A1 (0.44) OPRM1OPRD1ALDH1A1GAASMN1; SMN2
SCHEMBL3698185 0.88 MAPT (0.36) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3705051 0.88 APAF1 (0.36) ALDH1A1KDM4ETSHRLMNAUSP2
SCHEMBL3700838 0.88 APAF1 (0.36) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL3702465 0.87 PSEN1 (0.35) MEN1KMT2AMAPT
SCHEMBL3697424 0.86 APAF1 (0.34) ALDH1A1KDM4ETSHRLMNAUSP2
SCHEMBL3705971 0.85 GLA (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3702485 0.85 CA12 (0.37) ALDH1A1GAASMN1; SMN2KDM4EMAPT
SCHEMBL9101546 0.85 C5AR1 (0.39) ALDH1A1KDM4E

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-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US 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 OPRM1 4375/4885OPRD1 3309/4885ALDH1A1 701/4885

“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.