SCHEMBL2690693

SCHEMBL2690693

CC(C=O)c1ncccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.36
CYP2D6 P10635 1/20 0.36
HRH1 P35367 1/20 0.36
NFE2L2 Q16236 12/20 0.36
S1PR1 P21453 2/20 0.35
DPP4 P27487 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL1333036 0.83 CYP2D6 (0.36) S1PR3CYP2D6HRH1NFE2L2S1PR1
SCHEMBL1690313 0.80 CYP2D6 (0.40) S1PR3CYP2D6HRH1S1PR1DPP4
SCHEMBL21071356 0.76 CYP2D6 (0.45) S1PR3CYP2D6HRH1S1PR1DPP4
SCHEMBL30824549 0.76 CYP2D6 (0.45) S1PR3CYP2D6HRH1S1PR1DPP4
SCHEMBL22495173 0.76 CYP2D6 (0.45) S1PR3CYP2D6HRH1S1PR1DPP4
SCHEMBL27147342 0.76 CYP2D6 (0.45) S1PR3CYP2D6HRH1S1PR1DPP4
SCHEMBL28205012 0.76 CYP2D6 (0.39) S1PR3CYP2D6HRH1S1PR1DPP4
SCHEMBL23006304 0.75 CYP2D6 (0.41) S1PR3CYP2D6HRH1S1PR1DPP4
SCHEMBL1514943 0.75 S1PR3 (0.38) S1PR3CYP2D6HRH1S1PR1MEN1
Hydrochloric Acid SCHEMBL31482194 0.75 LMNA (0.47) S1PR3CYP2D6HRH1S1PR1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930620-A Tetrafused ring compound, preparation method, pharmaceutical composition and application thereof 和径医药科技(上海)有限公司 2025-05-06 CN disclosed
US-8338603-B2 TRPV1 antagonists ABBVIE INC. (US) 2012-12-25 US disclosed
US-20120108642-A1 TRPV1 ANTAGONISTS ABBVIE INC. 2012-05-03 US disclosed
US-8084616-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-12-27 US disclosed
CN-101835751-A Cyclohexene amide derivatives and their use as TRPV1 antagonists ABBOTT LAB 2010-09-15 CN disclosed
EP-2215061-A2 TRPV1 ANTAGONISTS Abbott Laboratories (US) 2010-08-11 EP disclosed
US-20090124671-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055629-A2 CYCLOHEXENEAMIDE DERIVATIVES AND THEIR USE AS TRPV1 ANTAGONIST ABBOTT LABORATORIES (US) 2009-04-30 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 (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-20120108642-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 S1PR3 269/4885CYP2D6 1965/4885HRH1 63/4885
US-20090124671-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 S1PR3 269/4885CYP2D6 1965/4885HRH1 63/4885

“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.