SCHEMBL1763066

SCHEMBL1763066

CCc1cccc(CC)c1-c1cc2ccn(Cc3cc(F)ccc3C(F)(F)F)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.41
P2RX7 Q99572 1/20 0.39
PPARG P37231 9/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
AR P10275 1/20 0.35
CNR1 P21554 1/20 0.34
GRIN2B Q13224 2/20 0.34
NTRK1 P04629 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 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
SCHEMBL1762592 0.90 EPHX2 (0.35) EPHX2GRIN2BFLT1KDRCACNA1C
SCHEMBL1762562 0.90 EPHX2 (0.43) EPHX2P2RX7GRIN2BFLT1KDR
SCHEMBL1762715 0.89 DDR1 (0.37) EPHX2P2RX7FLT1KDR
SCHEMBL1762829 0.82 P2RX7 (0.39) P2RX7PPARGGRIN2B
SCHEMBL1763011 0.81 KCNQ3 (0.47) PPARG
SCHEMBL1762705 0.80 LMNA (0.42)
SCHEMBL1762814 0.80 C5AR1 (0.38) GRIN2B
SCHEMBL1762928 0.80 MAPT (0.44)
SCHEMBL4580311 0.78 MAPT (0.41) P2RX7
SCHEMBL1762997 0.76 CACNA1H (0.41) FLT1KDR

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 EPHX2 399/4885P2RX7 9/4885PPARG 1038/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 EPHX2 399/4885P2RX7 9/4885PPARG 1038/4885

“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.