SCHEMBL84370

SCHEMBL84370

Cc1nc2cc(C(C)(C)C)ccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HSD17B10 Q99714 2/20 0.53
PKM P14618 2/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL13862771 0.86 TRPV1 (0.58) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL25057020 0.86 POLB (0.55) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12598436 0.85 SMN1; SMN2 (0.58) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL9853857 0.84 POLB (0.56) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL19987536 0.83 HSD17B10 (0.51) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13930929 0.83 HSD17B10 (0.51) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27917690 0.83 SMN1; SMN2 (0.51) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2705399 0.81 CASR (0.44) TRPV1TNFNOD1HDAC3HDAC1
SCHEMBL25056938 0.81 POLB (0.54) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL19965725 0.80 HSD17B10 (0.49) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A

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 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-05 US disclosed
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11731972-B2 Spiro compounds as glycosidase inhibitors ASCENEURON SA (CH) 2023-08-22 US disclosed
US-11731972-B2 Spiro compounds as glycosidase inhibitors ASCENEURON SA (CH) 2023-08-22 US disclosed
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-7473694-B2 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2009-01-06 US disclosed
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. (US) 2008-07-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 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 (14 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 TRPV1 3047/4885SMN1; SMN2 3122/4885ALDH1A1 916/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 TRPV1 4786/4885SMN1; SMN2 1519/4885ALDH1A1 4701/4885
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF RIPK1, RIPK3, RIPK2 TRPV1 1335/4885SMN1; SMN2 1532/4885ALDH1A1 3976/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 TRPV1 1033/4885SMN1; SMN2 2631/4885ALDH1A1 2911/4885
US-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP TRPV1 3480/4885SMN1; SMN2 2473/4885ALDH1A1 1182/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TRPV1 843/4885SMN1; SMN2 4840/4885ALDH1A1 1892/4885
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ERBB2, EGFR, ERBB3 TRPV1 1785/4885SMN1; SMN2 2921/4885ALDH1A1 607/4885
US-20080176958-A1 Cyclodextrin-based polymers for therapeutics delivery CD47, SDCBP, BST2 TRPV1 3817/4885SMN1; SMN2 1987/4885ALDH1A1 2837/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 TRPV1 4229/4885SMN1; SMN2 4458/4885ALDH1A1 303/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK TRPV1 882/4885SMN1; SMN2 3321/4885ALDH1A1 3405/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 TRPV1 327/4885SMN1; SMN2 4860/4885ALDH1A1 2651/4885
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 TRPV1 504/4885SMN1; SMN2 1846/4885ALDH1A1 81/4885
US-11731972-B2 Spiro compounds as glycosidase inhibitors GLA, BACE1, GAA TRPV1 2824/4885SMN1; SMN2 1710/4885ALDH1A1 142/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE TRPV1 1251/4885SMN1; SMN2 1954/4885ALDH1A1 708/4885

“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.