SCHEMBL3878731

SCHEMBL3878731

COc1ccc(Cl)c(N2CCNC(C)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PDE10A Q9Y233 3/20 0.41
BCL2A1 Q16548 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCI P41743 1/20 0.38
KIT P10721 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.35
ALOX5 P09917 1/20 0.34
ZAP70 P43403 3/20 0.34

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
SCHEMBL3878732 1.00 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14PDE10A
SCHEMBL3877710 0.77 HRH4 (0.43) MAPK13MAPK12MAPK11MAPK14PDE10A
SCHEMBL3877714 0.77 HRH4 (0.43) MAPK13MAPK12MAPK11MAPK14PDE10A
SCHEMBL4494296 0.77 AKT1 (0.43) HRH4SUV39H2
SCHEMBL4494286 0.77 AKT1 (0.43) HRH4SUV39H2
SCHEMBL232058 0.73 TRPV1 (0.47) MAPK13MAPK12MAPK11MAPK14PRKCQ
SCHEMBL4490992 0.73 HTR3E (0.43) KITSUV39H2
SCHEMBL3878598 0.73 HRH4 (0.46) MAPK13MAPK12MAPK11MAPK14BCL2A1
SCHEMBL3878594 0.73 HRH4 (0.46) MAPK13MAPK12MAPK11MAPK14BCL2A1
SCHEMBL3707817 0.73 TRPV1 (0.47) MAPK13MAPK12MAPK11MAPK14PRKCQ

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
EP-1644358-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
WO-2005007648-A2 BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG MAPK13 3283/4885MAPK12 3462/4885MAPK11 3493/4885

“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.