SCHEMBL908080

SCHEMBL908080

CCOC(=O)c1cnc(N2CCN(c3cc(-c4ccncc4)nc(N4CCCC4C)n3)C(C)C2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.43
ACACB O00763 2/20 0.41
ACACA Q13085 1/20 0.41
SMO Q99835 2/20 0.38
P2RY12 Q9H244 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LATS1 O95835 1/20 0.36
KHK P50053 2/20 0.36
SYK P43405 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAP3K12 Q12852 2/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
GSK3B P49841 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
SCHEMBL908082 1.00 SGPL1 (0.43) SGPL1ACACBACACASMOP2RY12
SCHEMBL908339 0.93 SGPL1 (0.49) SGPL1ACACBACACASMOP2RY12
SCHEMBL908338 0.93 SGPL1 (0.49) SGPL1ACACBACACASMOP2RY12
SCHEMBL908348 0.92 P2RY12 (0.38) P2RY12LATS1KHKKDM4EUSP2
SCHEMBL908178 0.90 SGPL1 (0.40) SGPL1ACACBACACASMOP2RY12
SCHEMBL908176 0.90 SGPL1 (0.40) SGPL1ACACBACACASMOP2RY12
SCHEMBL908277 0.90 SYK (0.40) ACACBACACASMOLATS1KHK
SCHEMBL908275 0.90 SYK (0.40) ACACBACACASMOLATS1KHK
SCHEMBL907939 0.90 SGPL1 (0.44) SGPL1ACACBACACASMOP2RY12
SCHEMBL907938 0.90 SGPL1 (0.44) SGPL1ACACBACACASMOP2RY12

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 4 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-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 (1 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 SGPL1 3448/4885ACACB 3035/4885ACACA 3323/4885

“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.