SCHEMBL3888461

SCHEMBL3888461

CC1CCN(c2nc(-c3ccc(F)c(Cl)c3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)CC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.42
GALR1 P47211 4/20 0.42
TRPV1 Q8NER1 2/20 0.39
HSD11B1 P28845 5/20 0.38
RBP4 P02753 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL13761379 0.92 GALR2 (0.44) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3880888 0.88 GALR2 (0.47) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3880207 0.85 GALR2 (0.51) GALR2GALR1TRPV1HSD11B1
SCHEMBL3949112 0.85 GALR2 (0.45) GALR2GALR1TRPV1HSD11B1
SCHEMBL3876780 0.85 GALR2 (0.46) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3952712 0.84 GALR2 (0.44) GALR2GALR1TRPV1HSD11B1
SCHEMBL3879455 0.84 GALR2 (0.46) GALR2GALR1TRPV1HSD11B1
SCHEMBL3884097 0.84 GALR2 (0.44) GALR2GALR1TRPV1HSD11B1
SCHEMBL3877831 0.84 GALR2 (0.43) GALR2GALR1TRPV1HSD11B1
SCHEMBL3884990 0.84 GALR2 (0.44) GALR2GALR1TRPV1HSD11B1RBP4

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

“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.