SCHEMBL3887686

SCHEMBL3887686

NC1CCN(c2nc(-c3ccc(F)c(Cl)c3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
GALR2 O43603 4/20 0.43
GALR1 P47211 4/20 0.43
HSD11B1 P28845 6/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL3879455 0.95 GALR2 (0.46) TRPV1GALR2GALR1HSD11B1DPP4
SCHEMBL3950055 0.90 GALR2 (0.43) TRPV1GALR2GALR1HSD11B1
SCHEMBL3880207 0.90 GALR2 (0.51) TRPV1GALR2GALR1HSD11B1
SCHEMBL3876780 0.89 GALR2 (0.46) TRPV1GALR2GALR1HSD11B1
SCHEMBL3878568 0.89 TRPV1 (0.48) TRPV1GALR2GALR1HSD11B1
SCHEMBL3879496 0.87 GALR2 (0.44) TRPV1GALR2GALR1HSD11B1
SCHEMBL3877834 0.87 GALR2 (0.55) TRPV1GALR2GALR1HSD11B1
SCHEMBL3885408 0.87 GALR2 (0.55) TRPV1GALR2GALR1HSD11B1
SCHEMBL3879771 0.86 TRPV1 (0.43) TRPV1GALR2GALR1HSD11B1
SCHEMBL3876607 0.86 GALR2 (0.56) TRPV1GALR2GALR1HSD11B1

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 TRPV1 244/4885GALR2 171/4885GALR1 270/4885

“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.