SCHEMBL10070056

SCHEMBL10070056

CC(C)[C@@H]1CCCC[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.52
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
KDR P35968 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC18A3 Q16572 2/20 0.31
EPHX1 P07099 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL22601293 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL19818246 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL13312942 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL280337 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL680648 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL7752845 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL3047337 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL16202652 1.00 TRPA1 (0.52) TRPA1TRPM8CA1CA2CA4
SCHEMBL4843434 0.97 TRPA1 (0.50) TRPA1TRPM8CA1CA2CA4
SCHEMBL3914000 0.97 TRPA1 (0.50) TRPA1TRPM8CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-20230183242-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2023-06-15 US disclosed
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 US disclosed
US-10815223-B2 Process for producing Lamivudine and Emtricitabine NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2020-10-27 US disclosed
EP-3440077-B1 PROCESS FOR PRODUCING LAMIVUDINE AND EMTRICITABINE UNIV NELSON MANDELA METROPOLITAN (ZA) 2020-07-01 EP disclosed
US-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2019-10-31 US disclosed
US-20190211004-A1 PROCESS FOR PRODUCING LAMIVUDINE AND EMTRICITABINE NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2019-07-11 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 US disclosed
US-20130172187-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS NORTH CAROLINA STATE UNIVERSITY 2013-07-04 US disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
WO-2012006276-A1 INHIBITION OF BACTERIAL BIOFILMS WITH ARYL CARBAMATES NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-12 WO disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 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-20130172187-A1 USE OF ARYL CARBAMATES IN AGRICULTURE AND OTHER PLANT-RELATED AREAS CTRC, ACE, DDT TRPA1 566/4885TRPM8 1808/4885CA1 1810/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TRPA1 3391/4885TRPM8 4099/4885CA1 3760/4885
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 TRPA1 838/4885TRPM8 1555/4885CA1 4848/4885
US-20120177730-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 TRPA1 35/4885TRPM8 111/4885CA1 2651/4885
US-20230183242-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, JAK3, IFNAR1 TRPA1 3562/4885TRPM8 2894/4885CA1 4704/4885
US-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK TRPA1 4412/4885TRPM8 3944/4885CA1 4725/4885
US-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 TRPA1 3257/4885TRPM8 4042/4885CA1 4477/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 TRPA1 4028/4885TRPM8 3764/4885CA1 241/4885
US-20190211004-A1 PROCESS FOR PRODUCING LAMIVUDINE AND EMTRICITABINE TYMS, TYMP, DCTD TRPA1 4871/4885TRPM8 4835/4885CA1 4316/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 TRPA1 838/4885TRPM8 1551/4885CA1 4852/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TRPA1 3391/4885TRPM8 4099/4885CA1 3760/4885
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 TRPA1 3808/4885TRPM8 4654/4885CA1 4229/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 TRPA1 3347/4885TRPM8 3925/4885CA1 279/4885
US-10815223-B2 Process for producing Lamivudine and Emtricitabine TYMS, TYMP, DCTD TRPA1 4871/4885TRPM8 4835/4885CA1 4316/4885

“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.