SCHEMBL5454064

SCHEMBL5454064

[CH2]C(Cc1cccnc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
FDPS P14324 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.43
GRM2 Q14416 2/20 0.42
CYP2D6 P10635 6/20 0.41
CYP3A4 P08684 5/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 5/20 0.41
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 3/20 0.40
RAB9A P51151 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL5460636 0.84 CYP19A1 (0.51) FDPSCYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL6981682 0.79 CYP19A1 (0.45) ALDH1A1SLC6A4SLC6A3CYP19A1
SCHEMBL5849664 0.78 CYP3A4 (0.51) SIGMAR1FDPSGAAALDH1A1POLB
Hydrochloric Acid SCHEMBL5848397 0.77 CYP3A4 (0.50) SIGMAR1FDPSGAAALDH1A1POLB
SCHEMBL3758352 0.72 TBXAS1 (0.56) GAAPOLBGRM2CYP2D6CYP1A2
SCHEMBL6176772 0.72 CHRNA7 (0.57) GAAPOLBGRM2CYP2D6CYP1A2
SCHEMBL4726907 0.72 FDPS (0.56) FDPSALDH1A1CYP2D6CYP3A4CYP1A2
SCHEMBL9985184 0.72 CYP19A1 (0.42) ALDH1A1POLBCYP2D6CYP3A4CYP19A1
SCHEMBL2096123 0.72 FDPS (0.51) FDPSALDH1A1CYP2D6CYP1A2
SCHEMBL27560189 0.72 CYP19A1 (0.42) ALDH1A1POLBCYP2D6CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US claimed
CN-1213044-C Amine and amide derivatives as ligands of the neuropeptide YY5 receptor for the treatment of obesity and other diseases ORTHO MCNEIL PHARM INC (US) 2005-08-03 CN disclosed
CN-1382135-A Amine and amide derivatives as ligands for neuropeptide YY5 receptor usefu in treatment of obesity and other disorders ORTHO MCNEIL PHARM INC (US) 2002-11-27 CN 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 SIGMAR1 3190/4885FDPS 1038/4885GAA 1417/4885

“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.