SCHEMBL3879440

SCHEMBL3879440

CC1CCCN1c1nc(-c2cccc(OC(F)(F)F)c2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
TRPA1 O75762 2/20 0.47
SLC6A7 Q99884 1/20 0.43
GALR2 O43603 3/20 0.42
GALR1 P47211 3/20 0.42
S1PR1 P21453 1/20 0.41
HSD11B1 P28845 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3880079 0.92 TRPV1 (0.48) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3878477 0.88 TRPV1 (0.50) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3884278 0.88 TRPV1 (0.50) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3888400 0.88 TRPV1 (0.54) TRPV1TRPA1HSD11B1
SCHEMBL3879971 0.87 TRPV1 (0.48) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3876152 0.87 TRPV1 (0.49) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3880025 0.86 TRPV1 (0.48) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3881886 0.86 TRPV1 (0.48) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3876143 0.86 TRPV1 (0.48) TRPV1TRPA1GALR2GALR1HSD11B1
SCHEMBL3890213 0.85 TRPV1 (0.51) TRPV1TRPA1GALR2GALR1HSD11B1

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 244/4885TRPA1 714/4885SLC6A7 715/4885

“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.