SCHEMBL908476

SCHEMBL908476

C[C@@H]1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1cc(-c2ccc(F)cc2)nc(N2CCC[C@H]2CO)n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.41
CXCR3 P49682 11/20 0.41
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL908474 1.00 SMO (0.41) SMOCXCR3FPR2SCN9A
SCHEMBL907877 0.93 CXCR3 (0.40) CXCR3
SCHEMBL907878 0.93 CXCR3 (0.40) CXCR3
SCHEMBL908165 0.93 SMO (0.44) SMOFPR2SCN9A
SCHEMBL908470 0.93 SMO (0.44) SMOFPR2SCN9A
SCHEMBL908392 0.93 SMO (0.43) SMOCXCR3
SCHEMBL908105 0.93 SMO (0.43) SMOCXCR3
SCHEMBL3523417 0.93 SMO (0.43) SMOCXCR3
SCHEMBL908103 0.93 SMO (0.43) SMOCXCR3
SCHEMBL908598 0.93 SMO (0.43) SMOCXCR3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 EP claimed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US claimed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US claimed
EP-1786800-A4 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORP (US) 2009-05-06 EP claimed
EP-1786800-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-05-23 EP claimed
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2006-06-08 US claimed
WO-2006026135-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-03-09 WO claimed
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 EP disclosed
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 EP disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 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 (2 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-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES GPR88, PIGO, PRLHR SMO 1520/4885CXCR3 1012/4885FPR2 222/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 SMO 1476/4885CXCR3 942/4885FPR2 232/4885

“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.