SCHEMBL3889701

SCHEMBL3889701

CCCN(C)c1nc(-c2ccc(Cl)cc2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.47
TRPV1 Q8NER1 10/20 0.46
CETP P11597 1/20 0.42

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
SCHEMBL3878946 0.93 HSD11B1 (0.48) HSD11B1TRPV1
SCHEMBL3884800 0.92 HSD11B1 (0.46) HSD11B1TRPV1
SCHEMBL3889371 0.91 TRPV1 (0.45) HSD11B1TRPV1
SCHEMBL3879721 0.88 HSD11B1 (0.49) HSD11B1TRPV1
SCHEMBL3888959 0.88 GALR2 (0.42) HSD11B1TRPV1
SCHEMBL3877970 0.87 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL3877002 0.86 TRPV1 (0.44) HSD11B1TRPV1
SCHEMBL3879575 0.83 HSD11B1 (0.56) HSD11B1TRPV1
SCHEMBL3875997 0.83 HSD11B1 (0.44) HSD11B1TRPV1
SCHEMBL3880636 0.83 TRPV1 (0.49) 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 HSD11B1 3915/4885TRPV1 244/4885CETP 3918/4885

“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.