SCHEMBL4132717

SCHEMBL4132717

COc1ccc2c(c1)C(O)C(Br)CC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
CYP19A1 P11511 3/20 0.48
CYP11B1 P15538 1/20 0.48
MTNR1B P49286 7/20 0.47
NQO2 P16083 6/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL4140163 0.88 LMNA (0.50) CYP19A1HTR2CDRD2DRD3
SCHEMBL9749054 0.88 LMNA (0.50) CYP19A1HTR2CDRD2DRD3
SCHEMBL9749057 0.88 LMNA (0.50) CYP19A1HTR2CDRD2DRD3
SCHEMBL1180151 0.84 OPRM1 (0.47) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL9688445 0.81 DRD2 (0.53) MTNR1ACYP19A1CYP11B1MTNR1BNQO2
SCHEMBL30715531 0.81 MTNR1A (0.49) MTNR1ACYP19A1CYP11B1MTNR1BNQO2
SCHEMBL30715541 0.81 MTNR1A (0.49) MTNR1ACYP19A1CYP11B1MTNR1BNQO2
SCHEMBL13363972 0.81 DRD2 (0.53) MTNR1ACYP19A1CYP11B1MTNR1BNQO2
SCHEMBL326892 0.80 MTNR1A (0.54) MTNR1ACYP19A1CYP11B1MTNR1BNQO2
SCHEMBL9813925 0.79 DRD1 (0.46) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US disclosed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-20090075982-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US disclosed
EP-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US disclosed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 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 (3 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-20090075982-A1 Piperazine compounds HTR7, HTR5A, NPY5R MTNR1A 156/4885CYP19A1 518/4885CYP11B1 366/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R MTNR1A 156/4885CYP19A1 518/4885CYP11B1 366/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R MTNR1A 156/4885CYP19A1 518/4885CYP11B1 366/4885

“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.