SCHEMBL8269682

SCHEMBL8269682

CCCCCC(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.66
HPGD P15428 3/20 0.64
EPHX2 P34913 4/20 0.61
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL10412377 0.87 TRPV1 (0.78) TRPV1HPGDEPHX2ALDH1A1CYP1A2
SCHEMBL17335585 0.85 EPHX2 (0.77) TRPV1HPGDEPHX2ALDH1A1CYP1A2
SCHEMBL8269774 0.85 TRPV1 (0.59) TRPV1HPGDEPHX2ALDH1A1CYP1A2
SCHEMBL17335563 0.85 EPHX2 (0.77) TRPV1HPGDEPHX2ALDH1A1CYP1A2
SCHEMBL17335642 0.84 EPHX2 (0.79) TRPV1HPGDEPHX2ALDH1A1CYP1A2
SCHEMBL17335724 0.83 HPGD (0.91) TRPV1HPGDEPHX2ALDH1A1
SCHEMBL1456919 0.83 P2RX7 (0.49) HPGD
SCHEMBL31036978 0.83 P2RX7 (0.49) HPGD
SCHEMBL1456923 0.83 P2RX7 (0.49) HPGD
SCHEMBL3809498 0.82 EPHX2 (0.84) TRPV1HPGDEPHX2ALDH1A1

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 3 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 disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 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 (2 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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 TRPV1 1754/4885HPGD 2936/4885EPHX2 1160/4885
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB TRPV1 111/4885HPGD 137/4885EPHX2 2649/4885

“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.