SCHEMBL3879702

SCHEMBL3879702

Fc1ccc(-c2nc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.52
MTOR P42345 3/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CG P48736 1/20 0.52
TRPV1 Q8NER1 7/20 0.51
PIK3R1 P27986 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL3882297 0.92 NPSR1 (0.54) HSD11B1MTORTRPV1EPHX2
SCHEMBL3875957 0.92 TRPV1 (0.60) HSD11B1MTORTRPV1
SCHEMBL3877210 0.92 HSD11B1 (0.53) HSD11B1MTORPIK3CAPIK3CGTRPV1
SCHEMBL14614245 0.91 PIK3CA (0.56) HSD11B1MTORPIK3CAPIK3CGTRPV1
SCHEMBL3889718 0.91 HSD11B1 (0.53) HSD11B1MTORPIK3CAPIK3CGTRPV1
SCHEMBL3886723 0.90 HSD11B1 (0.55) HSD11B1TRPV1EPHX2
SCHEMBL3881037 0.89 HSD11B1 (0.54) HSD11B1TRPV1EPHX2
SCHEMBL3876757 0.89 MTOR (0.53) HSD11B1MTORPIK3CATRPV1PIK3R1
SCHEMBL3877775 0.89 MTOR (0.50) HSD11B1MTORPIK3CAPIK3CGTRPV1
SCHEMBL3881385 0.88 SCN9A (0.54) HSD11B1MTORPIK3CATRPV1PIK3R1

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 HSD11B1 3915/4885MTOR 2949/4885PIK3CA 1107/4885

“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.