SCHEMBL4770269

SCHEMBL4770269

Cc1cc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.47
MAP4K4 O95819 1/20 0.47
HDAC1 Q13547 1/20 0.45
TRPV1 Q8NER1 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40
CHRM1 P11229 7/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
OPRK1 P41145 3/20 0.39
SETD7 Q8WTS6 1/20 0.39
LIMK2 P53671 2/20 0.39

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
SCHEMBL4916694 1.00 GPR119 (0.47) GPR119MAP4K4HDAC1TRPV1SUV39H2
SCHEMBL20135523 0.89 GPR119 (0.48) GPR119MAP4K4HDAC1TRPV1SUV39H2
SCHEMBL20134910 0.89 GPR119 (0.48) GPR119MAP4K4HDAC1TRPV1SUV39H2
SCHEMBL29688701 0.89 GPR119 (0.48) GPR119MAP4K4HDAC1TRPV1SUV39H2
SCHEMBL20134912 0.89 GPR119 (0.48) GPR119MAP4K4HDAC1TRPV1SUV39H2
SCHEMBL29688824 0.89 GPR119 (0.48) GPR119MAP4K4HDAC1TRPV1SUV39H2
SCHEMBL30046432 0.87 CHRM1 (0.51) GPR119MAP4K4HDAC1TRPV1CHRM1
SCHEMBL30045559 0.87 CHRM1 (0.51) GPR119MAP4K4HDAC1TRPV1CHRM1
SCHEMBL2419857 0.86 GPR119 (0.45) GPR119MAP4K4HDAC1TRPV1SUV39H2
SCHEMBL18838015 0.85 GPR119 (0.44) GPR119MAP4K4HDAC1SUV39H2NR1H2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824490-A4 PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORP (US) 2008-06-04 EP disclosed
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 US disclosed
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 US disclosed
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 US disclosed
EP-1824490-A1 PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-08-29 EP disclosed
WO-2006065872-A1 PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-06-22 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-20080045525-A1 Piperazinyl-Pyridine Analogues PRLHR, GPR27, GPR68 GPR119 52/4885MAP4K4 1605/4885HDAC1 572/4885

“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.