SCHEMBL2689538

SCHEMBL2689538

O=C1CCC(F)(c2ncccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 12/20 0.33
S100A4 P26447 1/20 0.31
CDC25B P30305 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL2691280 0.82 TRPV1 (0.41) TRPV1MEN1CYP2C9KMT2AP2RX7
SCHEMBL2690334 0.82 NOS3 (0.36) TRPV1MEN1CYP2C9KMT2AHSD11B1
SCHEMBL2688435 0.81 TRPV1 (0.34) TRPV1MEN1CYP2C9KMT2AP2RX7
SCHEMBL2688285 0.80 TRPV1 (0.39) TRPV1MEN1CYP2C9KMT2AP2RX7
SCHEMBL12178980 0.79 TRPV1 (0.44) TRPV1MEN1CYP2C9KMT2A
SCHEMBL2692040 0.79 TRPV1 (0.39) TRPV1P2RX7
SCHEMBL22423707 0.78 PDE4A (0.33) TRPV1MEN1CYP2C9KMT2A
SCHEMBL14950751 0.77 TRPV1 (0.52) TRPV1MEN1KMT2AP2RX7HSD11B1
Hydrochloric Acid SCHEMBL14936197 0.77 TRPV1 (0.44) TRPV1MEN1CYP2C9KMT2A
SCHEMBL2689654 0.77 ALOX5 (0.37) TRPV1MEN1CYP2C9KMT2AHSD11B1

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-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
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 TRPV1 1/4885MEN1 3210/4885CYP2C9 2980/4885
US-20090124671-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 TRPV1 1/4885MEN1 3210/4885CYP2C9 2980/4885

“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.