SCHEMBL3973842

SCHEMBL3973842

Cc1oc(-c2cccc(Br)c2)nc1CI

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.52
PPARG P37231 5/20 0.51
PPARA Q07869 5/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 4/20 0.47
KDM1A O60341 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.43

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
SCHEMBL4253581 0.89 ALDH1A1 (0.47) RXFP1PPARGPPARANPC1RAB9A
SCHEMBL5479662 0.85 RXFP1 (0.52) RXFP1PPARGPPARANPC1RAB9A
SCHEMBL5103142 0.85 RXFP1 (0.52) RXFP1PPARGPPARANPC1RAB9A
SCHEMBL1045451 0.85 MAPT (0.49) PPARANPC1RAB9AMEN1KMT2A
SCHEMBL4888438 0.83 PPARG (0.57) RXFP1PPARGPPARANPC1RAB9A
SCHEMBL6989552 0.83 PPARG (0.54) RXFP1PPARGPPARANPC1RAB9A
SCHEMBL4830084 0.82 KDM4E (0.50) PPARGPPARARAB9AMEN1KMT2A
SCHEMBL4836903 0.82 MAPT (0.55) NPC1SMN1; SMN2KDM4EMAPTGAA
SCHEMBL5103005 0.82 RXFP1 (0.49) RXFP1PPARGPPARANPC1RAB9A
SCHEMBL4830096 0.81 TARBP2 (0.50) RXFP1PPARGPPARANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599453-B1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed
EP-1599453-B1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed
US-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-7365084-B2 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US disclosed
US-7365084-B2 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US disclosed
US-7365084-B2 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US disclosed
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
EP-1425014-B1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-12-13 EP disclosed
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-01 US disclosed
US-20050215596-A1 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-29 US disclosed
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-12 US disclosed
US-6884812-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-26 US disclosed
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-06-24 US disclosed
EP-1425014-A1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS Aventis Pharma Deutschland GmbH (DE) 2004-06-09 EP disclosed
US-6624185-B2 Drugs at least one lipid- or triglyceride-lowering active compound; and carriers for lipid metabolism AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-23 US disclosed
US-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-31 US disclosed
WO-2003020269-A1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-13 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-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals PNLIP, LIPC, APOB RXFP1 2805/4885PPARG 314/4885PPARA 383/4885
US-20050215596-A1 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals DNPEP, DDC, AADAT RXFP1 4326/4885PPARG 1100/4885PPARA 609/4885
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM RXFP1 3164/4885PPARG 80/4885PPARA 122/4885
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, APOB RXFP1 2709/4885PPARG 292/4885PPARA 365/4885
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, LIPA RXFP1 3234/4885PPARG 290/4885PPARA 345/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A RXFP1 3151/4885PPARG 99/4885PPARA 132/4885

“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.