SCHEMBL3880559

SCHEMBL3880559

CCN(CC)c1nc(-c2cccc(C(C)C)c2)nc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.46
TRPA1 O75762 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3882734 0.93 HSD11B1 (0.44) HSD11B1TRPA1TRPV1NPSR1HSD17B10
SCHEMBL3877278 0.88 HSD11B1 (0.44) HSD11B1TRPA1GALR2GALR1EPHX2
SCHEMBL3889113 0.88 HRH4 (0.46) HSD11B1TRPA1GALR2GALR1EPHX2
SCHEMBL3877032 0.88 HSD11B1 (0.48) HSD11B1TRPA1TRPV1
SCHEMBL3889342 0.88 HSD11B1 (0.52) HSD11B1TRPA1TRPV1EPHX2
SCHEMBL3878834 0.88 HSD11B1 (0.48) HSD11B1TRPA1GALR2GALR1EPHX2
SCHEMBL3876553 0.88 HSD11B1 (0.49) HSD11B1TRPA1TRPV1EPHX2
SCHEMBL3887923 0.86 TRPV1 (0.43) HSD11B1TRPA1TRPV1GALR2GALR1
SCHEMBL3883981 0.86 TRPA1 (0.49) HSD11B1TRPA1NPSR1HSD17B10GALR2
SCHEMBL14614251 0.86 HSD11B1 (0.47) HSD11B1TRPA1GALR2GALR1EPHX2

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 3915/4885TRPA1 714/4885TRPV1 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.