SCHEMBL3879568

SCHEMBL3879568

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.44
GALR2 O43603 2/20 0.42
GALR1 P47211 2/20 0.42
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
SCHEMBL3878926 0.93 GALR2 (0.43) HSD11B1GALR2GALR1
SCHEMBL3875997 0.92 HSD11B1 (0.44) HSD11B1
SCHEMBL3878223 0.92 HSD11B1 (0.44) HSD11B1GALR2GALR1EPHX2
SCHEMBL3878946 0.89 HSD11B1 (0.48) HSD11B1EPHX2
SCHEMBL3886743 0.89 GALR2 (0.43) HSD11B1GALR2GALR1
SCHEMBL3882474 0.88 HSD11B1 (0.48) HSD11B1
SCHEMBL3877901 0.88 HSD11B1 (0.49) HSD11B1
SCHEMBL3877178 0.87 TRPV1 (0.48) HSD11B1GALR2GALR1
SCHEMBL3880094 0.86 GALR2 (0.43) HSD11B1GALR2GALR1
SCHEMBL3888959 0.86 GALR2 (0.42) HSD11B1GALR2GALR1

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 HSD11B1 3915/4885GALR2 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.