SCHEMBL3876757

SCHEMBL3876757

Fc1cccc(-c2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.53
TRPV1 Q8NER1 8/20 0.49
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD11B1 P28845 2/20 0.46
GRIA1 P42261 1/20 0.46
TRPA1 O75762 1/20 0.46
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45

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
SCHEMBL3883433 0.91 GALR2 (0.51) TRPV1HSD11B1TRPA1
SCHEMBL3878211 0.90 NPSR1 (0.57) MTORTRPV1NPSR1ATMTDP1
SCHEMBL3875906 0.90 GALR2 (0.53) TRPV1HSD11B1TRPA1
SCHEMBL3882297 0.90 NPSR1 (0.54) MTORTRPV1NPSR1ATMTDP1
SCHEMBL3877647 0.89 HSD11B1 (0.52) MTORTRPV1NPSR1ATMTDP1
SCHEMBL3876846 0.89 MTOR (0.49) MTORTRPV1NPSR1ATMTDP1
SCHEMBL3879702 0.89 HSD11B1 (0.52) MTORTRPV1HSD11B1PIK3R1PIK3CA
SCHEMBL3877775 0.88 MTOR (0.50) MTORTRPV1NPSR1ATMTDP1
SCHEMBL3878663 0.87 MTOR (0.48) MTORTRPV1HSD11B1
SCHEMBL3883415 0.87 PIK3CA (0.53) MTORTRPV1NPSR1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US claimed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG MTOR 2949/4885TRPV1 244/4885NPSR1 264/4885

“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.