SCHEMBL1138355

SCHEMBL1138355

FC(F)(F)c1cccc(C2=CCN(CCc3cccc(-c4cnccn4)c3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HTR7 P34969 2/20 0.44
SIGMAR1 Q99720 5/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
CNR2 P34972 6/20 0.40
CNR1 P21554 3/20 0.39
PARP1 P09874 1/20 0.38
HTR1A P08908 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL1138609 0.89 PPARG (0.47) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL1138533 0.88 HTR7 (0.46) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL10970693 0.86 KDM4E (0.48) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL1138649 0.85 PPARG (0.47) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL1138424 0.85 SIGMAR1 (0.50) PPARGPPARAHTR7SIGMAR1DRD2
Water SCHEMBL9501517 0.85 KDM4E (0.47) PPARGPPARAHTR7SIGMAR1DRD2
Hydrochloric Acid SCHEMBL10936383 0.85 KDM4E (0.47) PPARGPPARAHTR7SIGMAR1DRD2
Hydrochloric Acid SCHEMBL9485699 0.85 KDM4E (0.47) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL1138484 0.84 PPARG (0.45) PPARGPPARAHTR7SIGMAR1DRD2
SCHEMBL4588554 0.83 HTR7 (0.52) PPARGPPARAHTR7SIGMAR1DRD2

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
EP-1448550-B1 NITROGENOUS TETRAHYDROPYRIDYL-ALKYL-HETEROCYCLES WITH TNF ACTIVITY SANOFI AVENTIS (FR) 2011-02-23 EP claimed
US-7211578-B2 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with TNF activity SANOFI-AVENTIS (FR) 2007-05-01 US claimed
US-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity SANOFI-AVENTIS (FR) 2005-01-06 US claimed
US-7211578-B2 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with TNF activity SANOFI-AVENTIS (FR) 2007-05-01 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 (1 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-20050004132-A1 Nitrogenous tetrahydropyridyl-alkyl-heterocycles with tnf activity TNF, TNFRSF1A, NFKBIA PPARG 2582/4885PPARA 2193/4885HTR7 1941/4885

“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.