SCHEMBL2690334

SCHEMBL2690334

Cc1cccnc1C1(F)CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TRPV1 Q8NER1 4/20 0.33
HSD11B1 P28845 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
OPRL1 P41146 1/20 0.32
HTR7 P34969 1/20 0.32
PDK2 Q15119 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
PLAU P00749 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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 0.83 TRPV1 (0.41) MEN1CYP2C9KMT2ATRPV1LMNA
SCHEMBL2689538 0.82 TRPV1 (0.46) MEN1CYP2C9KMT2ATRPV1HSD11B1
SCHEMBL5732429 0.78 ALDH1A1 (0.38) NOS3NOS1NOS2MEN1CYP2C9
SCHEMBL2688222 0.74 ALDH1A1 (0.34) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL2688435 0.69 TRPV1 (0.34) MEN1CYP2C9KMT2ATRPV1HSD11B1
SCHEMBL22330440 0.69 NOS3 (0.45) NOS3NOS1NOS2ALDH1A1OPRL1
SCHEMBL5479635 0.68 POLB (0.51) TRPV1
SCHEMBL27667028 0.68 TRPV1 (0.41) TRPV1
SCHEMBL29525515 0.68 KDM4E (0.39) NOS3NOS1NOS2HSD11B1OPRL1
SCHEMBL2594427 0.68 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1OPRL1

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 NOS3 1116/4885NOS1 1322/4885NOS2 1466/4885
US-20090124671-A1 TRPV1 ANTAGONISTS TRPV1, TRPV5, TRPV3 NOS3 1116/4885NOS1 1322/4885NOS2 1466/4885

“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.