SCHEMBL3880211

SCHEMBL3880211

CCCN1CCN(c2nc(-c3ccc(F)c(C)c3)cc(N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.43
GALR2 O43603 3/20 0.40
GALR1 P47211 3/20 0.40
HSD11B1 P28845 4/20 0.38
SMO Q99835 1/20 0.37
RBP4 P02753 1/20 0.37

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
SCHEMBL3878981 0.91 GALR2 (0.48) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3881863 0.90 GALR2 (0.49) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3878673 0.90 GALR2 (0.49) TRPV1GALR2GALR1HSD11B1
SCHEMBL3885547 0.89 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1
SCHEMBL3950502 0.88 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3878649 0.87 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3953510 0.86 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3887226 0.85 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3883969 0.84 GALR2 (0.47) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3884882 0.84 TRPV1 (0.43) TRPV1GALR2GALR1HSD11B1RBP4

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.