SCHEMBL3889342

SCHEMBL3889342

CCN(CC)c1nc(-c2ccccc2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.52
TRPV1 Q8NER1 4/20 0.47
EPHX2 P34913 1/20 0.46
RBP4 P02753 1/20 0.45
POLB P06746 1/20 0.45
TRPA1 O75762 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL3886975 0.93 HSD11B1 (0.48) HSD11B1TRPV1EPHX2RBP4
SCHEMBL3877306 0.93 HSD11B1 (0.50) HSD11B1TRPV1EPHX2RBP4GAA
SCHEMBL3879721 0.92 HSD11B1 (0.49) HSD11B1TRPV1EPHX2RBP4
SCHEMBL3882046 0.92 HSD11B1 (0.54) HSD11B1TRPV1EPHX2RBP4GAA
SCHEMBL3877032 0.90 HSD11B1 (0.48) HSD11B1TRPV1TRPA1
SCHEMBL14614252 0.90 HSD11B1 (0.47) HSD11B1TRPV1EPHX2RBP4GAA
SCHEMBL3877278 0.90 HSD11B1 (0.44) HSD11B1EPHX2RBP4TRPA1
SCHEMBL3889113 0.90 HRH4 (0.46) HSD11B1EPHX2TRPA1
SCHEMBL3876553 0.90 HSD11B1 (0.49) HSD11B1TRPV1EPHX2RBP4TRPA1
SCHEMBL3878834 0.90 HSD11B1 (0.48) HSD11B1EPHX2RBP4TRPA1GAA

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 HSD11B1 3915/4885TRPV1 244/4885EPHX2 3018/4885

“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.