SCHEMBL3877516

SCHEMBL3877516

CC(C)N(C)c1nc(-c2ccc(F)cc2F)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.48
HSD11B1 P28845 10/20 0.46
GALR2 O43603 4/20 0.44
GALR1 P47211 4/20 0.44
EPHX2 P34913 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
SCHEMBL3877683 0.91 HSD11B1 (0.48) TRPV1HSD11B1GALR2GALR1
SCHEMBL3876611 0.88 HSD11B1 (0.50) TRPV1HSD11B1EPHX2
SCHEMBL3888501 0.86 GALR2 (0.51) TRPV1HSD11B1GALR2GALR1EPHX2
SCHEMBL3879801 0.86 GALR2 (0.45) TRPV1HSD11B1GALR2GALR1EPHX2
SCHEMBL3877178 0.85 TRPV1 (0.48) TRPV1HSD11B1GALR2GALR1
SCHEMBL3880887 0.85 TRPV1 (0.50) TRPV1HSD11B1GALR2GALR1
SCHEMBL3884292 0.84 TRPV1 (0.47) TRPV1HSD11B1GALR2GALR1
SCHEMBL3879964 0.84 TRPV1 (0.47) TRPV1HSD11B1GALR2GALR1
SCHEMBL3887121 0.83 HSD11B1 (0.47) TRPV1HSD11B1
SCHEMBL3878253 0.83 TRPV1 (0.46) TRPV1HSD11B1

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 TRPV1 244/4885HSD11B1 3915/4885GALR2 171/4885

“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.