SCHEMBL4262912

SCHEMBL4262912

O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.79
TRPA1 O75762 3/20 0.63
KCNH2 Q12809 1/20 0.63
TRPM8 Q7Z2W7 1/20 0.63
CNR2 P34972 1/20 0.55

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
SCHEMBL138342 0.88 TRPV1 (1.00) TRPV1
SCHEMBL29635879 0.88 TRPV1 (1.00) TRPV1
SCHEMBL29389124 0.88 TRPV1 (1.00) TRPV1
SCHEMBL14423736 0.86 TRPV1 (0.80) TRPV1TRPA1KCNH2TRPM8
SCHEMBL4267012 0.84 TRPV1 (0.63) TRPV1TRPA1KCNH2TRPM8
SCHEMBL13930734 0.83 TRPV1 (0.69) TRPV1TRPA1KCNH2TRPM8
SCHEMBL10308206 0.82 TRPV1 (1.00) TRPV1
SCHEMBL19417039 0.81 TRPV1 (0.58) TRPV1CNR2
SCHEMBL4550113 0.79 TRPV1 (0.66) TRPV1
SCHEMBL1269620 0.78 TRPV1 (1.00) TRPV1TRPA1KCNH2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US claimed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 US claimed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US claimed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO claimed
US-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2010-09-16 US disclosed
US-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2010-09-16 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
WO-2008057300-A9 TRPVI ANTAGONISTS AND USES THEREOF REDPOINT BIO CORP (US) 2008-07-24 WO disclosed
US-20080153845-A1 TRPV1 ANTAGONISTS AND USES THEREOF REDPOINT BIO CORPORATION (US) 2008-06-26 US disclosed
US-20080153845-A1 TRPV1 ANTAGONISTS AND USES THEREOF REDPOINT BIO CORPORATION (US) 2008-06-26 US disclosed
WO-2008057300-A2 TRPVI ANTAGONISTS AND USES THEREOF REDPOINT BIO CORPORATION (US) 2008-05-15 WO disclosed
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 US disclosed
US-7256193-B2 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2007-08-14 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO disclosed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 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 (6 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-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885TRPA1 4/4885KCNH2 403/4885
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 TRPV1 1/4885TRPA1 2/4885KCNH2 641/4885
US-20080153845-A1 TRPV1 ANTAGONISTS AND USES THEREOF TRPV1, TRPA1, TRPV5 TRPV1 1/4885TRPA1 2/4885KCNH2 323/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 TRPV1 36/4885TRPA1 101/4885KCNH2 442/4885
US-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION CNR1, CNR2, AVPR1A TRPV1 9/4885TRPA1 68/4885KCNH2 262/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 TRPV1 1/4885TRPA1 4/4885KCNH2 403/4885

“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.