SCHEMBL2090888

SCHEMBL2090888

CCCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
DAO P14920 1/20 0.54
CETP P11597 3/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
CNR1 P21554 1/20 0.47
GRM2 Q14416 2/20 0.45
ALOX5 P09917 1/20 0.45
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL7946272 0.90 PPARA (0.56) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL7610809 0.88 PPARA (0.62) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL178310 0.87 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL22096418 0.87 PPARA (0.64) CHRM2CHRM1CHRM3DAOPPARG
SCHEMBL2096533 0.86 PPARA (0.46) CHRM2CHRM1CHRM3DAOCETP
Hydrochloric Acid SCHEMBL21272596 0.84 CHRM2 (0.52) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL14670931 0.84 PPARA (0.52) CHRM2CHRM1CHRM3CETPPPARG
SCHEMBL12061947 0.83 CHRM2 (0.56) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL8515213 0.82 SLC6A4 (0.47) CHRM2CHRM1CHRM3DAOGRIN2B
SCHEMBL8505613 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3DAOCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
EP-3849968-B1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 US disclosed
US-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-09-03 US disclosed
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-9394261-B2 Aryl amine substituted pyrimidine and quinazoline and their use as anticancer drugs NATIONAL YANG-MING UNIVERSITY (TW) 2016-07-19 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 US disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (11 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-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 CHRM2 3586/4885CHRM1 2619/4885CHRM3 4326/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 CHRM2 1873/4885CHRM1 2416/4885CHRM3 862/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 CHRM2 4661/4885CHRM1 4831/4885CHRM3 4625/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CHRM2 4405/4885CHRM1 4414/4885CHRM3 3741/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 CHRM2 1892/4885CHRM1 2161/4885CHRM3 1455/4885
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 CHRM2 4064/4885CHRM1 3696/4885CHRM3 4061/4885
US-20160287564-A1 METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS GLS, GLS2, GLUL CHRM2 4604/4885CHRM1 4572/4885CHRM3 4778/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 CHRM2 1892/4885CHRM1 2161/4885CHRM3 1455/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 CHRM2 2001/4885CHRM1 2238/4885CHRM3 1600/4885
US-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors JAK3, JAK1, JAK2 CHRM2 4828/4885CHRM1 4819/4885CHRM3 4837/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 CHRM2 2687/4885CHRM1 3241/4885CHRM3 2746/4885

“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.