SCHEMBL4036812

SCHEMBL4036812

Bc1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GPR3 P46089 2/20 0.42
KIF11 P52732 2/20 0.41
CETP P11597 2/20 0.41
SLC22A12 Q96S37 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
DAO P14920 1/20 0.39
MPI P34949 1/20 0.39
XDH P47989 1/20 0.39
GALR1 P47211 1/20 0.39
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
Water SCHEMBL27883032 0.98 CHRM2 (0.42) CHRM2CHRM1CHRM3GPR3KIF11
SCHEMBL3147185 0.84 GPR3 (0.50) CHRM2CHRM1CHRM3GPR3KIF11
SCHEMBL12260870 0.79 SMN1; SMN2 (0.46) GPR3KIF11CETPALDH1A1GAA
SCHEMBL11527555 0.78 KIF11 (0.51) KIF11CETPMAPTTSHR
SCHEMBL2094855 0.77 GPR3 (0.45) CHRM2CHRM1CHRM3GPR3KIF11
SCHEMBL29435934 0.76 GPR3 (0.50) CHRM2CHRM1CHRM3GPR3KIF11
SCHEMBL254534 0.76 GPR3 (0.50) CHRM2CHRM1CHRM3GPR3KIF11
SCHEMBL3146332 0.76 GPR3 (0.44) CHRM2CHRM1CHRM3GPR3KIF11
SCHEMBL12245 0.74 ACHE (0.56) CHRM2CHRM1CHRM3GPR3CETP
SCHEMBL68084 0.74 GPR3 (0.42) CHRM2CHRM1CHRM3GPR3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208976-A1 PROCESS FOR THE PREPARATION OF 7-(4-CHLOROBENZYL)-1-(3-HYDROXYPROPYL)-3-METHYL-8-(3-(TRIFLUOROMETHOXY)-PHENOXY)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-06-27 US disclosed
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 US disclosed
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
EP-2927219-B1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2018-05-30 EP disclosed
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 US disclosed
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 US disclosed
US-9108989-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
EP-2801570-A1 Inhibitors of beta-secretase Vitae Pharmaceuticals, Inc. (US) 2014-11-12 EP disclosed
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8629125-B2 Inhibitors of fatty acid amide hydrolase Infinty Pharmaceuticals, Inc. (US) 2014-01-14 US disclosed
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-8349814-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
EP-2094643-B1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2012-02-29 EP disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 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 (8 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-20240208976-A1 PROCESS FOR THE PREPARATION OF 7-(4-CHLOROBENZYL)-1-(3-HYDROXYPROPYL)-3-METHYL-8-(3-(TRIFLUOROMETHOXY)-PHENOXY)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE DPYD, P2RX7, DHPS CHRM2 1420/4885CHRM1 760/4885CHRM3 730/4885
US-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 CHRM2 1940/4885CHRM1 2229/4885CHRM3 1066/4885
US-20140121183-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CHRM2 2913/4885CHRM1 3479/4885CHRM3 2265/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CHRM2 2913/4885CHRM1 3479/4885CHRM3 2265/4885
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 CHRM2 1940/4885CHRM1 2229/4885CHRM3 1066/4885
US-20130059819-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CHRM2 2913/4885CHRM1 3479/4885CHRM3 2265/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 CHRM2 1940/4885CHRM1 2229/4885CHRM3 1066/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 CHRM2 1940/4885CHRM1 2229/4885CHRM3 1066/4885

“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.