SCHEMBL138342

SCHEMBL138342

O=C(Nc1ccc(C(F)(F)F)cn1)N1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 1.00
GAA P10253 1/20 0.64
NPSR1 Q6W5P4 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60

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
SCHEMBL29635879 1.00 TRPV1 (1.00) TRPV1GAANPSR1HSD17B10CA12
SCHEMBL29389124 1.00 TRPV1 (1.00) TRPV1GAANPSR1HSD17B10CA12
SCHEMBL4262912 0.88 TRPV1 (0.79) TRPV1
SCHEMBL4265025 0.81 TRPV1 (0.78) TRPV1GAANPSR1HSD17B10CA12
SCHEMBL14422335 0.79 TRPV1 (0.65) TRPV1
SCHEMBL4262793 0.78 TRPV1 (0.82) TRPV1GAANPSR1HSD17B10CA12
SCHEMBL3712104 0.77 TRPV1 (0.80) TRPV1GAANPSR1HSD17B10CA12
SCHEMBL4269392 0.77 TRPV1 (0.73) TRPV1GAANPSR1HSD17B10CA12
SCHEMBL16690819 0.77 TRPV1 (0.66) TRPV1GAANPSR1HSD17B10CA12
SCHEMBL3095680 0.76 HSD11B1 (0.76) TRPV1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241442-B2 Methods of use for TRP channel antagonist-based combination cancer therapies PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-02-08 US disclosed
US-20210128581-A1 METHODS OF USE FOR TRP CHANNEL ANTAGONIST-BASED COMBINATION CANCER THERAPIES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-05-06 US disclosed
US-20200215085-A1 Method to Abate Acute Airway Hypersensitivity and Asthma Attacks AAZEINTX INC. (CA) 2020-07-09 US disclosed
US-9642859-B2 Use of capsazepine and analogs thereof to treat cancer THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-05-09 US disclosed
US-9642859-B2 Use of capsazepine and analogs thereof to treat cancer THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-05-09 US disclosed
US-20150352123-A1 USE OF CAPSAZEPINE AND ANALOGS THEREOF TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-12-10 US disclosed
US-20150352123-A1 USE OF CAPSAZEPINE AND ANALOGS THEREOF TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-12-10 US disclosed
EP-2646107-A2 AGENT DELIVERY SYSTEMS FOR SELECTIVE NEUROMODULATION Spinal Modulation Inc. (US) 2013-10-09 EP disclosed
WO-2012075337-A2 DIRECTED DELIVERY OF AGENTS TO NEURAL ANATOMY SPINAL MODULATION, INC. (US) 2012-06-07 WO disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120059007-A1 Pharmacologically-active vanilloid carbamates FAAH, FAAH2, TRPV1 TRPV1 3/4885GAA 1309/4885NPSR1 310/4885
US-20150352123-A1 USE OF CAPSAZEPINE AND ANALOGS THEREOF TO TREAT CANCER TRPV1, TRPV5, TRPA1 TRPV1 1/4885GAA 3474/4885NPSR1 770/4885
US-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION CNR1, CNR2, AVPR1A TRPV1 9/4885GAA 2627/4885NPSR1 60/4885

“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.