SCHEMBL17335646

SCHEMBL17335646

CCCCCCCCC(=O)NCc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.56
TRPV1 Q8NER1 1/20 0.51
FAAH O00519 5/20 0.50
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL17335723 0.99 EPHX2 (0.54) EPHX2TRPV1FAAHCNR1CNR2
SCHEMBL9787236 0.86 EPHX2 (0.56) EPHX2TRPV1FAAHCNR1CNR2
SCHEMBL17335671 0.86 AOC3 (0.45) ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL17335644 0.83 LMNA (0.41) EPHX2TRPV1ALDH1A1CYP3A4HPGD
SCHEMBL17335684 0.81 LMNA (0.43) EPHX2ALDH1A1CYP3A4HPGDALOX15
SCHEMBL15007831 0.79 EPHX2 (0.79) EPHX2TRPV1FAAHCNR1CNR2
SCHEMBL15008342 0.79 EPHX2 (0.79) EPHX2TRPV1FAAHCNR1CNR2
SCHEMBL2762512 0.79 EPHX2 (0.79) EPHX2TRPV1FAAHCNR1CNR2
SCHEMBL406015 0.79 EPHX2 (0.79) EPHX2TRPV1FAAHCNR1CNR2
SCHEMBL2761734 0.79 EPHX2 (0.79) EPHX2TRPV1FAAHCNR1CNR2

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-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US claimed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US claimed

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-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB EPHX2 2649/4885TRPV1 111/4885FAAH 27/4885

“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.