SCHEMBL3879655

SCHEMBL3879655

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
TRPV1 Q8NER1 3/20 0.46
RBP4 P02753 2/20 0.42
MALT1 Q9UDY8 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR35 Q9HC97 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
HSD11B1 P28845 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
SCHEMBL3876487 0.83 EPHX2 (0.47) TRPV1HSD11B1
SCHEMBL3878518 0.83 GRM5 (0.48) TRPA1TRPV1RBP4GAAHSD11B1
SCHEMBL3880860 0.83 TRPV1 (0.42) TRPA1TRPV1HSD11B1
SCHEMBL3878913 0.82 TRPA1 (0.44) TRPA1TRPV1RBP4GAANPSR1
SCHEMBL3876561 0.80 TRPV1 (0.47) TRPA1TRPV1HRH3GAANPSR1
SCHEMBL3880682 0.79 HSD11B1 (0.46) TRPA1TRPV1RBP4GAAHSD11B1
SCHEMBL3879411 0.78 TRPA1 (0.47) TRPA1TRPV1RBP4GAANPSR1
SCHEMBL3877152 0.78 HSD11B1 (0.47) HSD11B1
SCHEMBL3875989 0.78 HSD11B1 (0.48) TRPA1TRPV1HSD11B1
SCHEMBL3877244 0.77 MALT1 (0.50) TRPV1RBP4MALT1GAA

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 TRPA1 714/4885TRPV1 244/4885RBP4 2234/4885

“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.