SCHEMBL908086

SCHEMBL908086

COC(=O)c1cnc(N2CCN(c3cc(-c4ccc(F)cc4)nc(N4CCCC4C)n3)C(C)C2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.41
▸ SMO Q99835 3/20 0.41
▸ S1PR1 P21453 1/20 0.38
▸ ACACB O00763 4/20 0.37
▸ MAP3K12 Q12852 2/20 0.37
▸ ACACA Q13085 1/20 0.36

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
SCHEMBL908087 1.00 SYK (0.41) SYKSMOS1PR1ACACBMAP3K12
SCHEMBL907876 0.92 SMO (0.46) SYKSMOS1PR1ACACBMAP3K12
SCHEMBL908599 0.92 SMO (0.46) SYKSMOS1PR1ACACBMAP3K12
SCHEMBL908278 0.92 SMO (0.46) SYKSMOS1PR1ACACBMAP3K12
SCHEMBL907875 0.92 SMO (0.46) SYKSMOS1PR1ACACBMAP3K12
SCHEMBL908261 0.92 SMO (0.46) SYKSMOS1PR1ACACBMAP3K12
SCHEMBL908311 0.91 SMO (0.42) SYKSMOS1PR1MAP3K12
SCHEMBL908312 0.91 SMO (0.42) SYKSMOS1PR1MAP3K12
SCHEMBL908078 0.86 SMO (0.41) SMO
SCHEMBL908079 0.86 SMO (0.41) SMO

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 SYK 2213/4885SMO 1520/4885S1PR1 513/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 SYK 2295/4885SMO 1476/4885S1PR1 500/4885

“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.

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