SCHEMBL352449

SCHEMBL352449

COC(=O)c1cc(C(C)(C)C)no1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RAF1 P04049 2/20 0.42
MAPK14 Q16539 4/20 0.41
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.36
HTT P42858 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL27871007 0.84 NOTUM (0.41) ALDH1A1MAPK14TSHRMAPTTP53
SCHEMBL10146309 0.83 MAPK14 (0.43) ALDH1A1MAPK14TSHRMAPTNPC1
SCHEMBL19886210 0.81 ALDH1A1 (0.49) ALDH1A1RAF1MAPK14TSHRMAPT
SCHEMBL6981694 0.81 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9AHTT
SCHEMBL351579 0.79 HCAR2 (0.57) ALDH1A1RAF1MAPK14NPC1RAB9A
SCHEMBL444734 0.79 MAPT (0.42) ALDH1A1MAPTPOLBTP53HTT
SCHEMBL5966739 0.79 ALDH1A1 (0.40) ALDH1A1RAF1MAPK14TSHRNPC1
SCHEMBL351138 0.78 ALDH1A1 (0.47) ALDH1A1RAF1MAPK14CNR2HCAR2
SCHEMBL352169 0.78 ALDH1A1 (0.47) ALDH1A1RAF1MAPK14NPC1RAB9A
SCHEMBL352704 0.78 CNR1 (0.36) ALDH1A1MAPK14TSHRMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389004-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) EMD Serono Research and Development Institute, Inc. 2022-12-08 US disclosed
EP-2542552-B1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-15 EP disclosed
US-9718820-B2 Substituted aza-bicyclic imidazole derivatives useful TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-01 US disclosed
US-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-10-20 US disclosed
US-9409915-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-08-09 US disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 US disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 US disclosed
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (US) 2015-10-08 US disclosed
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 US disclosed
US-9023846-B2 Substituted AZA-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-05 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 US disclosed
WO-2011109587-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-09 WO disclosed
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 US disclosed
EP-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
EP-0399645-B1 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1994-11-09 EP disclosed
EP-0399645-A2 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP 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 (7 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-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 ALDH1A1 2666/4885RAF1 2988/4885MAPK14 1641/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 ALDH1A1 2666/4885RAF1 2988/4885MAPK14 1641/4885
US-20150284394-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ALDH1A1 3560/4885RAF1 77/4885MAPK14 305/4885
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 ALDH1A1 2844/4885RAF1 2078/4885MAPK14 1347/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 ALDH1A1 2972/4885RAF1 3805/4885MAPK14 2521/4885
US-20220389004-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, SYK, ABL1 ALDH1A1 4695/4885RAF1 299/4885MAPK14 782/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 ALDH1A1 2666/4885RAF1 2988/4885MAPK14 1641/4885

“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.