SCHEMBL3880860

SCHEMBL3880860

CCCN1CCC(c2nc(-c3ccc(F)c(Cl)c3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
HSD11B1 P28845 6/20 0.41
RPS6KB1 P23443 7/20 0.40
AKT1 P31749 6/20 0.40
AKT2 P31751 1/20 0.38
KCNH2 Q12809 1/20 0.38
AKT3 Q9Y243 1/20 0.38
TRPA1 O75762 1/20 0.38
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38

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
SCHEMBL3876390 0.87 GALR2 (0.46) TRPV1HSD11B1GALR2GALR1
SCHEMBL3876487 0.86 EPHX2 (0.47) TRPV1HSD11B1
SCHEMBL3879655 0.83 TRPA1 (0.46) TRPV1HSD11B1TRPA1
SCHEMBL3879072 0.82 HSD11B1 (0.40) TRPV1HSD11B1GALR2GALR1
SCHEMBL3877152 0.81 HSD11B1 (0.47) HSD11B1GALR2GALR1
SCHEMBL3880010 0.81 GALR2 (0.47) TRPV1HSD11B1GALR2GALR1
SCHEMBL3875989 0.81 HSD11B1 (0.48) TRPV1HSD11B1TRPA1
SCHEMBL3880031 0.81 HSD11B1 (0.41) TRPV1HSD11B1GALR2GALR1
SCHEMBL3880207 0.80 GALR2 (0.51) TRPV1HSD11B1GALR2GALR1
SCHEMBL3880107 0.80 HSD11B1 (0.43) 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 8 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
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 TRPV1 244/4885HSD11B1 3915/4885RPS6KB1 1583/4885

“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.