SCHEMBL908275

SCHEMBL908275

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.40
LATS1 O95835 1/20 0.38
SMO Q99835 3/20 0.38
KHK P50053 4/20 0.38
MAP3K12 Q12852 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 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
SCHEMBL908277 1.00 SYK (0.40) SYKLATS1SMOKHKMAP3K12
SCHEMBL907917 0.94 SYK (0.41) SYKSMOKHKMAP3K12ACACB
SCHEMBL907919 0.94 SYK (0.41) SYKSMOKHKMAP3K12ACACB
SCHEMBL908957 0.94 SYK (0.41) SYKSMOKHKMAP3K12ACACB
SCHEMBL908231 0.93 SYK (0.40) SYKSMOKHKMAP3K12ACACB
SCHEMBL908233 0.93 SYK (0.40) SYKSMOKHKMAP3K12ACACB
SCHEMBL908118 0.92 LATS1 (0.40) SYKLATS1KHKMAP3K12
SCHEMBL908278 0.91 SMO (0.46) SYKSMOKHKMAP3K12ACACB
SCHEMBL907876 0.91 SMO (0.46) SYKSMOKHKMAP3K12ACACB
SCHEMBL908261 0.91 SMO (0.46) SYKSMOKHKMAP3K12ACACB

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 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
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 EP 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 2213/4885LATS1 3561/4885SMO 1520/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 SYK 2295/4885LATS1 3472/4885SMO 1476/4885

“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.