SCHEMBL15545247

SCHEMBL15545247

CC1(C)CCc2c(Br)cccc2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.41
HTR2C P28335 1/20 0.36
ABHD6 Q9BV23 2/20 0.35
TRPA1 O75762 1/20 0.35
CARM1 Q86X55 3/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
ADRA2A P08913 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL30421685 1.00 CES1 (0.41) CES1HTR2CABHD6TRPA1CARM1
SCHEMBL22989998 0.82 TRPA1 (0.34) HTR2CABHD6TRPA1CARM1PRMT6
SCHEMBL14123611 0.82 ABHD6 (0.34) ABHD6TRPA1CARM1PRMT6PRMT1
SCHEMBL12229339 0.82 ABHD6 (0.32) HTR2CABHD6TRPA1CARM1PRMT6
SCHEMBL30842183 0.79 SIGMAR1 (0.35) ABHD6TRPA1CARM1PRMT6PRMT1
SCHEMBL15829226 0.78 CD44 (0.44) CES1HTR2CADRA2A
SCHEMBL21936820 0.78 ABHD6 (0.33) ABHD6TRPA1CARM1PRMT6PRMT1
SCHEMBL11960180 0.78 BCL2L1 (0.50) CES1HTR2C
SCHEMBL30842146 0.76 SIGMAR1 (0.33) ABHD6TRPA1CARM1PRMT6PRMT1
SCHEMBL7917850 0.75 CARM1 (0.32) ABHD6CARM1PRMT6PRMT1

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
CN-116194456-A Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof 上海科州药物研发有限公司 2023-05-30 CN disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 WO disclosed
US-9688608-B2 Pyrazole tetrahydronaphthyl carboxamides BAYER CROPSCIENCE AG (DE) 2017-06-27 US disclosed
US-9630943-B2 Tetrahydronaphthyl(thio) carboxamides BAYER CROPSCIENCE AG (DE) 2017-04-25 US disclosed
US-9428459-B2 Difluoromethyl-nicotinic- tetrahydronaphtyl carboxamides BAYER CROPSCIENCE AG (DE) 2016-08-30 US disclosed
US-20160039741-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2016-02-11 US disclosed
US-9204646-B2 Pyrazole tetrahydronaphthyl carboxamides BAYER CROPSCIENCE AG (DE) 2015-12-08 US disclosed
US-20150329517-A1 TETRAHYDRONAPHTHYL(THIO) CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-11-19 US disclosed
US-20150322013-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTYL CARBOXAMIDES BAYER CROPSCIENCE AG (US) 2015-11-12 US disclosed
EP-2935218-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTYL CARBOXAMIDES Bayer CropScience AG (DE) 2015-10-28 EP disclosed
EP-2935223-A1 TETRAHYDRONAPHTHYL(THIO) CARBOXAMIDES Bayer CropScience AG (DE) 2015-10-28 EP disclosed
EP-2877456-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES Bayer CropScience AG (DE) 2015-06-03 EP disclosed
US-20150119242-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2015-04-30 US disclosed
WO-2014095678-A1 TETRAHYDRONAPHTHYL(THIO) CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 WO disclosed
WO-2014095677-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-06-26 WO disclosed
WO-2013167548-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2013-11-14 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 (4 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-20150322013-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTYL CARBOXAMIDES NAPRT, NNMT, NAMPT CES1 1159/4885HTR2C 995/4885ABHD6 1522/4885
US-20160039741-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES TPMT, HDHD5, CBR3 CES1 1172/4885HTR2C 2356/4885ABHD6 2726/4885
US-20150119242-A1 PYRAZOLE TETRAHYDRONAPHTHYL CARBOXAMIDES TPMT, HDHD5, CBR3 CES1 1172/4885HTR2C 2356/4885ABHD6 2726/4885
US-20150329517-A1 TETRAHYDRONAPHTHYL(THIO) CARBOXAMIDES HDHD5, TPMT, TIAL1 CES1 1294/4885HTR2C 2092/4885ABHD6 872/4885

“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.