SCHEMBL4388633

SCHEMBL4388633

Cc1nc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)nc3C)ccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 1.00
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SMN1; SMN2 Q16637 6/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HCRTR1 O43613 1/20 0.46
PPARG P37231 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL29386356 1.00 TRPV1 (1.00) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4384186 0.90 TRPV1 (0.81) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5128895 0.88 TRPV1 (0.78) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4386354 0.87 TRPV1 (0.76) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4389994 0.85 TRPV1 (0.74) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4386620 0.85 TRPV1 (0.73) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4426949 0.83 TRPV1 (0.70) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5934166 0.82 TRPV1 (0.70) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4384181 0.82 TRPV1 (0.69) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4425329 0.80 TRPV1 (0.67) TRPV1RAB9ANPC1CASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP claimed
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-20200129472-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERIPHERAL ARTERY DISEASE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2020-04-30 US disclosed
WO-2018165034-A1 METHODS OF USE FOR TRP CHANNEL ANTAGONIST-BASED COMBINATION CANCER THERAPIES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-09-13 WO disclosed
WO-2018148523-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERIPHERAL ARTERY DISEASE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2018-08-16 WO disclosed
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRANSPOSAGEN BIOPHARMACEUTICALS, INC. (US) 2012-06-14 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
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-20060148855-A1 Carboxamide derivatives GLAXO GROUP LIMITED (GB) 2006-07-06 US disclosed
EP-1606289-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-21 EP disclosed
WO-2004072069-A1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-08-26 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 (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-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 TRPV1 393/4885RAB9A 2395/4885NPC1 2461/4885
US-20100234454-A1 TREATMENT OF CNIDARIA INTOXICATION CNR1, CNR2, AVPR1A TRPV1 9/4885RAB9A 2819/4885NPC1 1678/4885
US-20120148604-A1 TRP INHIBITORS AND USES THEREOF TRPC4, TRPC1, TRPC3 TRPV1 4/4885RAB9A 3934/4885NPC1 4302/4885

“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.