SCHEMBL2073200

SCHEMBL2073200

Cc1nc2cc(NC(=O)C3CCC(c4ccc(Cl)cc4)CC3)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.56
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CHRM5 P08912 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
DEGS1 O15121 1/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HDAC4 P56524 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL16248331 0.88 NPC1 (0.60) NPC1RAB9AMAPTKDM4ECHRM5
SCHEMBL28983188 0.81 CHRM5 (0.71) MAPTCHRM5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28983145 0.78 CHRM5 (0.73) MAPTCHRM5SMN1; SMN2ALDH1A1LMNA
SCHEMBL4900109 0.77 TRPV1 (0.56) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL5783405 0.76 TRPV1 (0.76) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL12779258 0.73 MCHR1 (0.52) MCHR1MAPTDEGS1ALDH1A1L3MBTL1
SCHEMBL12514122 0.73 SMN1; SMN2 (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5798843 0.73 RAB9A (0.65) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL4988089 0.72 TRPV1 (0.56) NPC1RAB9AMAPTSMN1; SMN2DEGS1
SCHEMBL28983104 0.72 CHRM5 (0.73) MAPTCHRM5SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US claimed
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP claimed
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 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-20060148855-A1 Carboxamide derivatives GLAXO GROUP LIMITED (GB) 2006-07-06 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 (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-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 MCHR1 1960/4885NPC1 2461/4885RAB9A 2395/4885
US-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 MCHR1 504/4885NPC1 623/4885RAB9A 2168/4885

“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.