SCHEMBL1623905

SCHEMBL1623905

CCc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.69
MAOB P27338 2/20 0.62
ALOX5 P09917 1/20 0.50
ESR2 Q92731 1/20 0.50
GRM2 Q14416 1/20 0.48
RORC P51449 1/20 0.47
BCL2 P10415 1/20 0.46
PGR P06401 5/20 0.45
PDE4B Q07343 1/20 0.44
DHFR P00374 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
SCHEMBL18015843 0.86 TAAR1 (0.55) TAAR1MAOBALOX5ESR2BCL2
SCHEMBL11326904 0.85 BCL2 (0.53) TAAR1MAOBBCL2
SCHEMBL19523120 0.85 MAOB (0.69) TAAR1MAOBALOX5ESR2GRM2
SCHEMBL31491189 0.82 TAAR1 (0.71) TAAR1MAOBALOX5ESR2PGR
SCHEMBL16394285 0.82 TAAR1 (0.71) TAAR1MAOBALOX5ESR2PGR
SCHEMBL28636691 0.82 MAOB (0.65) TAAR1MAOBALOX5ESR2GRM2
SCHEMBL2690730 0.82 TAAR1 (1.00) TAAR1MAOBALOX5ESR2
SCHEMBL9007144 0.81 BCL2 (0.65) TAAR1BCL2
SCHEMBL29924029 0.81 BCL2 (0.65) TAAR1BCL2
SCHEMBL14071527 0.81 CHKA (0.58) TAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-11174219-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-11-16 US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 WO disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
EP-3153501-A1 GLUCAGON ANTAGONISTS Metabasis Therapeutics, Inc. (US) 2017-04-12 EP disclosed
EP-2773335-B1 OXALIC ACID AMIDES AS NEPRILYSIN INHIBITORS, PHARMACEUTICAL COMPOSITION THEREOF AND PREPARATION THEREOF THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-03-08 EP disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2015-12-03 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
WO-2008116156-A2 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS ASSOCIATED WITH MITOCHONDRIAL FUNCTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-25 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
US-20070105844-A1 Therapeutic compositions and methods REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 US disclosed
US-20070105844-A1 Therapeutic compositions and methods REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 US disclosed
WO-2007050587-A2 THERAPEUTIC COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-03 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 (6 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-11174219-B2 Neprilysin inhibitors MME, REN, ACE TAAR1 595/4885MAOB 282/4885ALOX5 4201/4885
US-20070105844-A1 Therapeutic compositions and methods GABRB3, GABRR3, GABRB2 TAAR1 661/4885MAOB 215/4885ALOX5 514/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 TAAR1 1998/4885MAOB 2853/4885ALOX5 3995/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 TAAR1 4797/4885MAOB 2528/4885ALOX5 670/4885
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF USP1, UHRF1, UBQLN1 TAAR1 3659/4885MAOB 2843/4885ALOX5 4067/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 TAAR1 419/4885MAOB 2222/4885ALOX5 674/4885

“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.