SCHEMBL1035167

SCHEMBL1035167

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 4/20 0.44
KDM4E B2RXH2 3/20 0.37
ADCY8 P40145 3/20 0.37
GPR65 Q8IYL9 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
WNT3A P56704 1/20 0.36
PTGS2 P35354 1/20 0.36
PDK2 Q15119 3/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1035170 1.00 ADCY1 (0.44) ADCY1KDM4EADCY8GPR65L3MBTL1
SCHEMBL1033442 0.94 ADCY1 (0.51) ADCY1KDM4EADCY8GPR65L3MBTL1
SCHEMBL1033441 0.94 ADCY1 (0.51) ADCY1KDM4EADCY8GPR65L3MBTL1
SCHEMBL1033109 0.89 KDM4E (0.43) ADCY1KDM4EADCY8GPR65L3MBTL1
SCHEMBL1033111 0.89 KDM4E (0.43) ADCY1KDM4EADCY8GPR65L3MBTL1
SCHEMBL1033319 0.89 USP30 (0.43) KDM4EGPR65L3MBTL1HTTALDH1A1
SCHEMBL1033321 0.89 USP30 (0.43) KDM4EGPR65L3MBTL1HTTALDH1A1
SCHEMBL1035526 0.88 KDM4E (0.48) KDM4EGPR65L3MBTL1HTTALDH1A1
SCHEMBL1035528 0.88 KDM4E (0.48) KDM4EGPR65L3MBTL1HTTALDH1A1
SCHEMBL1037282 0.88 ADCY1 (0.39) ADCY1KDM4EADCY8GPR65L3MBTL1

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 ADCY1 378/4885KDM4E 626/4885ADCY8 565/4885

“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.