SCHEMBL3876896

SCHEMBL3876896

CCN(CC)c1nc(-c2ccc(C)c(C)c2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 2/20 0.46
GALR1 P47211 2/20 0.46
HSD11B1 P28845 8/20 0.44
HRH4 Q9H3N8 1/20 0.44
EPHX2 P34913 1/20 0.42
RBP4 P02753 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL3883781 0.93 GALR2 (0.44) GALR2GALR1HSD11B1EPHX2
SCHEMBL3889727 0.93 GALR2 (0.44) GALR2GALR1HSD11B1EPHX2
SCHEMBL3877306 0.90 HSD11B1 (0.50) GALR2GALR1HSD11B1EPHX2RBP4
SCHEMBL3889113 0.89 HRH4 (0.46) GALR2GALR1HSD11B1HRH4EPHX2
SCHEMBL3878223 0.89 HSD11B1 (0.44) GALR2GALR1HSD11B1EPHX2RBP4
SCHEMBL3889342 0.88 HSD11B1 (0.52) HSD11B1EPHX2RBP4TRPV1
SCHEMBL3879324 0.88 HSD11B1 (0.45) GALR2GALR1HSD11B1TRPV1
SCHEMBL3887707 0.88 HSD11B1 (0.50) HSD11B1HRH4TRPV1
SCHEMBL3886975 0.88 HSD11B1 (0.48) HSD11B1HRH4EPHX2RBP4TRPV1
SCHEMBL3877032 0.87 HSD11B1 (0.48) HSD11B1TRPV1

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 GALR2 171/4885GALR1 270/4885HSD11B1 3915/4885

“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.