SCHEMBL3977911

SCHEMBL3977911

Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.47
RET P07949 1/20 0.42
CNR2 P34972 2/20 0.42
HDAC1 Q13547 1/20 0.42
PIK3CA P42336 1/20 0.41
DGAT1 O75907 1/20 0.40
ACVR1 Q04771 1/20 0.40
MAP4K4 O95819 1/20 0.39
HRH1 P35367 1/20 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
SCHEMBL2824462 0.88 HRH3 (0.51) HRH3HDAC1MAP4K4HRH1
SCHEMBL1743197 0.83 HRH3 (0.46) HRH3RETCNR2HDAC1DGAT1
SCHEMBL30191321 0.82 HRH3 (0.49) HRH3
SCHEMBL3387350 0.82 HRH3 (0.49) HRH3
SCHEMBL1742364 0.82 HRH3 (0.52) HRH3RETHDAC1PIK3CA
SCHEMBL1744575 0.82 DGAT1 (0.52) HRH3DGAT1
SCHEMBL1743035 0.81 HRH3 (0.59) HRH3RETHDAC1PIK3CA
SCHEMBL27687106 0.80 HRH3 (0.51) HRH3RETHDAC1PIK3CADGAT1
SCHEMBL27903434 0.80 HRH3 (0.41) HRH3RETCNR2HDAC1PIK3CA
SCHEMBL1744672 0.80 HRH3 (0.50) HRH3

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-7494995-B2 Phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2009-02-24 US disclosed
WO-2006120348-A1 NOVEL PHENYL-PYRIDINYL-PIPERAZINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES LES LABORATOIRES SERVIER (FR) 2006-11-16 WO disclosed
US-20060258671-A1 Phenylpyridylpiperazine compounds LES LABORATORIES SERVIER (FR) 2006-11-16 US disclosed
EP-1721896-A1 Phenylpyridinylpiperazin derivatives, the process to make them and the compositions containing them Les Laboratoires Servier (FR) 2006-11-15 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-20060258671-A1 Phenylpyridylpiperazine compounds HRH4, HRH3, HRH2 HRH3 2/4885RET 386/4885CNR2 20/4885

“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.