SCHEMBL1762834

SCHEMBL1762834

CCc1cccc(CC)c1-c1cc2ccn(-c3ccc(OC(F)(F)F)cc3)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.39
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PLA2G4A P47712 1/20 0.36
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MCHR1 Q99705 2/20 0.35
CACNA1H O95180 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 1/20 0.34
VNN1 O95497 1/20 0.34
KCNH2 Q12809 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL1762608 0.87 EIF2AK4 (0.39) DGAT1MAPT
SCHEMBL1762956 0.87 ALDH1A1 (0.41) PLA2G4AMAPT
SCHEMBL1762763 0.87 KCNH2 (0.38) DGAT1PPARDPPARAMCHR1PTGS1
SCHEMBL1762560 0.85 KCNH2 (0.39) DGAT1PLA2G4ARXRAGRIN1GRIN2B
SCHEMBL1762932 0.84 FGFR1 (0.37) DGAT1PLA2G4AMCHR1
SCHEMBL1762997 0.84 CACNA1H (0.41) CACNA1H
SCHEMBL1762893 0.83 PTK2 (0.39) DGAT1PLA2G4AL3MBTL1MAPTSYK
SCHEMBL1762998 0.83 KCNH2 (0.43) DGAT1PPARGMAPTKCNH2
SCHEMBL1762686 0.82 MCHR1 (0.45) MCHR1L3MBTL1KCNH2
SCHEMBL1763138 0.82 ESR2 (0.39) DGAT1PTGS1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 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 (2 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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 DGAT1 4526/4885PPARG 1038/4885PPARD 620/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 DGAT1 4526/4885PPARG 1038/4885PPARD 620/4885

“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.