SCHEMBL8738073

SCHEMBL8738073

CC(C)C(C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ADRB2 P07550 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
APP P05067 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
SCHEMBL1989983 1.00 TSHR (0.44) TSHRGABRA1GABRB1TP53CYP3A4
SCHEMBL17069179 1.00 TSHR (0.44) TSHRGABRA1GABRB1TP53CYP3A4
SCHEMBL8737182 0.85 RAPGEF4 (0.32) TSHRGABRA1GABRB1
SCHEMBL8738082 0.84 TRPM8 (0.37) GABRA1GABRB1
SCHEMBL17069210 0.84 TRPM8 (0.37) GABRA1GABRB1
SCHEMBL17069207 0.84 TRPM8 (0.37) GABRA1GABRB1
SCHEMBL21849217 0.80 ALDH1A1 (0.39) CYP3A4CYP1A2ALDH1A1
SCHEMBL16770785 0.79 TSHR (0.40) TSHRGABRA1GABRB1TP53CYP3A4
SCHEMBL17071831 0.79 TSHR (0.40) TSHRGABRA1GABRB1TP53CYP3A4
SCHEMBL17069226 0.79 RAPGEF4 (0.39) TSHRCYP3A4IDO1TDO2GRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
EP-4219453-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-08-02 EP disclosed
US-11203572-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2021-12-21 US disclosed
US-20210155588-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-27 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-10766858-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2020-09-08 US disclosed
US-20190112264-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-04-18 US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 TSHR 4245/4885GABRA1 1882/4885GABRB1 1933/4885
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 TSHR 475/4885GABRA1 3039/4885GABRB1 3708/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TSHR 4449/4885GABRA1 971/4885GABRB1 281/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 TSHR 475/4885GABRA1 3039/4885GABRB1 3708/4885
US-20210155588-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 TSHR 643/4885GABRA1 489/4885GABRB1 462/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TSHR 4173/4885GABRA1 447/4885GABRB1 141/4885
US-11203572-B2 Substituted benzamides and methods of use thereof BRIX1, RDX, RRM1 TSHR 643/4885GABRA1 489/4885GABRB1 462/4885
US-20190112264-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 TSHR 765/4885GABRA1 526/4885GABRB1 527/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 TSHR 436/4885GABRA1 582/4885GABRB1 742/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 TSHR 4380/4885GABRA1 723/4885GABRB1 218/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 TSHR 849/4885GABRA1 969/4885GABRB1 1224/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN TSHR 4170/4885GABRA1 705/4885GABRB1 228/4885
US-10766858-B2 Substituted benzamides and methods of use thereof BRIX1, RDX, SULT2A1 TSHR 765/4885GABRA1 526/4885GABRB1 527/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR TSHR 162/4885GABRA1 70/4885GABRB1 128/4885

“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.