SCHEMBL908171

SCHEMBL908171

CC1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1cc(-c2ccc(F)c(Cl)c2)nc(N2CCCCC2C)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.42
CXCR3 P49682 13/20 0.40
KHK P50053 2/20 0.39

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
SCHEMBL908172 1.00 MPL (0.42) MPLCXCR3KHK
SCHEMBL908285 0.98 MPL (0.42) MPLCXCR3KHK
SCHEMBL908284 0.98 MPL (0.42) MPLCXCR3KHK
SCHEMBL908861 0.98 MPL (0.42) MPLCXCR3KHK
SCHEMBL908251 0.93 CXCR3 (0.46) MPLCXCR3
SCHEMBL908252 0.93 CXCR3 (0.46) MPLCXCR3
SCHEMBL907925 0.92 SMO (0.39) MPLCXCR3KHK
SCHEMBL907926 0.92 SMO (0.39) MPLCXCR3KHK
SCHEMBL908108 0.91 CXCR3 (0.47) MPLCXCR3
SCHEMBL908109 0.91 CXCR3 (0.47) MPLCXCR3

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
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-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-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2006-06-08 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 MPL 329/4885CXCR3 1012/4885KHK 2881/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 MPL 337/4885CXCR3 942/4885KHK 2971/4885

“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.