SCHEMBL1034744

SCHEMBL1034744

CC1CN(C(=O)Nc2nnc(-c3ccccc3)o2)CC/C1=C\c1cccc(C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR65 Q8IYL9 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 2/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
ADCY1 Q08828 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
SCHEMBL1034745 1.00 KDM4E (0.39) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1035526 0.89 KDM4E (0.48) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1035528 0.89 KDM4E (0.48) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1033319 0.88 USP30 (0.43) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1033111 0.88 KDM4E (0.43) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1033321 0.88 USP30 (0.43) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1033109 0.88 KDM4E (0.43) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1082986 0.87 KDM4E (0.39) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1082984 0.87 KDM4E (0.39) KDM4EALDH1A1HTTHSD17B10GPR65
SCHEMBL1033442 0.86 ADCY1 (0.51) KDM4EALDH1A1HTTHSD17B10GPR65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER, INC. 2011-03-03 US claimed
EP-2276734-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP claimed
WO-2009127946-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO claimed
US-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER, INC. 2011-03-03 US disclosed
EP-2276734-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS Pfizer Inc. (US) 2011-01-26 EP disclosed
WO-2009127946-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2009-10-22 WO 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-20110053950-A1 4-BENZYLIDENE-3-METHYLPIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 KDM4E 626/4885ALDH1A1 388/4885HTT 2427/4885

“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.