SCHEMBL907952

SCHEMBL907952

Cc1cccc(-c2cc(N3CCN(c4ncc(C(=O)O)cc4C)CC3C)nc(N3CCCC3C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.42
PIK3CD O00329 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KHK P50053 2/20 0.37
LRRK2 Q5S007 1/20 0.36
MTOR P42345 1/20 0.36
MAP3K12 Q12852 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
SMO Q99835 2/20 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
SCHEMBL907953 1.00 SYK (0.42) SYKPIK3CDKDM4ELMNAMAPT
SCHEMBL907917 0.94 SYK (0.41) SYKKHKMAP3K12ACACBACACA
SCHEMBL908957 0.94 SYK (0.41) SYKKHKMAP3K12ACACBACACA
SCHEMBL907919 0.94 SYK (0.41) SYKKHKMAP3K12ACACBACACA
SCHEMBL907830 0.92 SYK (0.41) SYKPIK3CD
SCHEMBL907832 0.92 SYK (0.41) SYKPIK3CD
SCHEMBL12903367 0.92 SYK (0.42) SYKKDM4ELMNA
SCHEMBL908170 0.92 SYK (0.42) SYKKDM4ELMNAMAPTNPSR1
SCHEMBL908231 0.91 SYK (0.40) SYKMAPTKHKMAP3K12ACACB
SCHEMBL908233 0.91 SYK (0.40) SYKMAPTKHKMAP3K12ACACB

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 SYK 2213/4885PIK3CD 1491/4885KDM4E 3364/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 SYK 2295/4885PIK3CD 1510/4885KDM4E 3386/4885

“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.