SCHEMBL3882297

SCHEMBL3882297

FC(F)(F)c1cccnc1N1CCN(c2nc(-c3ccccc3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
HSD11B1 P28845 4/20 0.54
TRPV1 Q8NER1 8/20 0.53
GLA P06280 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MTOR P42345 2/20 0.53
EPHX2 P34913 1/20 0.50

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
SCHEMBL3877210 0.92 HSD11B1 (0.53) HSD11B1TRPV1MTOR
SCHEMBL3875957 0.92 TRPV1 (0.60) HSD11B1TRPV1MTOR
SCHEMBL3879702 0.92 HSD11B1 (0.52) HSD11B1TRPV1MTOREPHX2
SCHEMBL3889718 0.91 HSD11B1 (0.53) HSD11B1TRPV1MTOR
SCHEMBL14614245 0.91 PIK3CA (0.56) HSD11B1TRPV1MTOREPHX2
SCHEMBL3876757 0.90 MTOR (0.53) NPSR1HSD11B1TRPV1ATMTDP1
SCHEMBL3878211 0.90 NPSR1 (0.57) NPSR1HSD11B1TRPV1ATMTDP1
SCHEMBL3880612 0.89 HSD11B1 (0.55) HSD11B1TRPV1MTOR
SCHEMBL3876846 0.89 MTOR (0.49) NPSR1HSD11B1TRPV1ATMTDP1
SCHEMBL3881385 0.89 SCN9A (0.54) HSD11B1TRPV1GLAMTOR

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-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 NPSR1 264/4885HSD11B1 3915/4885TRPV1 244/4885

“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.