SCHEMBL3878686

SCHEMBL3878686

Fc1ccc(-c2cc(N3CCOCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)c2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.47
TRPV1 Q8NER1 2/20 0.47
NMT1 P30419 1/20 0.45
EPHX2 P34913 1/20 0.43
TRPA1 O75762 1/20 0.43

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
SCHEMBL3889976 0.89 NMT1 (0.48) NMT1
SCHEMBL3884196 0.88 HSD11B1 (0.53) HSD11B1TRPV1EPHX2TRPA1
SCHEMBL3878644 0.88 TRPV1 (0.49) HSD11B1TRPV1
SCHEMBL3883302 0.88 TRPV1 (0.44) HSD11B1TRPV1TRPA1
SCHEMBL3888444 0.88 TRPV1 (0.49) HSD11B1TRPV1
SCHEMBL3878783 0.86 TRPV1 (0.52) HSD11B1TRPV1
SCHEMBL3875989 0.82 HSD11B1 (0.48) HSD11B1TRPV1EPHX2TRPA1
SCHEMBL3877009 0.82 TRPV1 (0.49) HSD11B1TRPV1
SCHEMBL3880207 0.82 GALR2 (0.51) HSD11B1TRPV1EPHX2
SCHEMBL3876584 0.81 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 9 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
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
CN-1823057-A Biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2006-08-23 CN disclosed
EP-1644358-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
WO-2005007648-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO 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 244/4885NMT1 3510/4885

“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.