SCHEMBL908106

SCHEMBL908106

Cc1cc(CO)cnc1N1CCN(c2cc(-c3ccncc3)nc(N3CCCC3C)n2)C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
ACACA Q13085 1/20 0.39
LATS1 O95835 1/20 0.39
SYK P43405 2/20 0.38
MAP3K12 Q12852 3/20 0.37
SORD Q00796 4/20 0.37
SMO Q99835 1/20 0.36
CHRM1 P11229 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35

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
SCHEMBL908107 1.00 ACACB (0.39) ACACBACACALATS1SYKMAP3K12
SCHEMBL908546 0.93 SYK (0.40) ACACBACACASYKMAP3K12SMO
SCHEMBL908548 0.93 SYK (0.40) ACACBACACASYKMAP3K12SMO
SCHEMBL908043 0.92 LATS1 (0.41) LATS1SYKMAP3K12
SCHEMBL908341 0.91 CHRM1 (0.40) ACACBACACASYKMAP3K12SMO
SCHEMBL908340 0.91 CHRM1 (0.40) ACACBACACASYKMAP3K12SMO
SCHEMBL908325 0.89 SORD (0.39) ACACBACACASYKMAP3K12SORD
SCHEMBL908327 0.89 SORD (0.39) ACACBACACASYKMAP3K12SORD
SCHEMBL908004 0.89 SYK (0.40) ACACBACACASYKMAP3K12CHRM1
SCHEMBL908005 0.89 SYK (0.40) ACACBACACASYKMAP3K12CHRM1

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
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
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2006-06-08 US claimed
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 ACACB 3035/4885ACACA 3323/4885LATS1 3561/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 ACACB 3022/4885ACACA 3319/4885LATS1 3472/4885

“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.