SCHEMBL1033442

SCHEMBL1033442

CC1CN(C(=O)Nc2nnc(-c3ccccc3)o2)CCC1=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY1 Q08828 6/20 0.51
ADCY8 P40145 5/20 0.43
KDM4E B2RXH2 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.39
GPR65 Q8IYL9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL1033441 1.00 ADCY1 (0.51) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL1035167 0.94 ADCY1 (0.44) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL1035170 0.94 ADCY1 (0.44) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL1036345 0.91 ADCY1 (0.43) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL1036344 0.91 ADCY1 (0.43) ADCY1ADCY8KDM4EHTTLMNA
SCHEMBL1033109 0.89 KDM4E (0.43) ADCY1ADCY8KDM4EHTTHSD17B10
SCHEMBL1033111 0.89 KDM4E (0.43) ADCY1ADCY8KDM4EHTTHSD17B10
SCHEMBL1035528 0.88 KDM4E (0.48) KDM4EHTTLMNAHSD17B10L3MBTL1
SCHEMBL1035526 0.88 KDM4E (0.48) KDM4EHTTLMNAHSD17B10L3MBTL1
SCHEMBL1037282 0.88 ADCY1 (0.39) ADCY1ADCY8KDM4EHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 378/4885ADCY8 565/4885KDM4E 626/4885

“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.