SCHEMBL4140163

SCHEMBL4140163

COc1ccc2c(c1)CCC(Br)C2O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP19A1 P11511 2/20 0.48
SRD5A1 P18405 2/20 0.46
HTR2C P28335 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CHRNA7 P36544 1/20 0.45
SLC6A9 P48067 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL9749057 1.00 LMNA (0.50) LMNAHSD17B10CYP19A1SRD5A1HTR2C
SCHEMBL9749054 1.00 LMNA (0.50) LMNAHSD17B10CYP19A1SRD5A1HTR2C
SCHEMBL9813925 0.91 DRD1 (0.46) LMNAHSD17B10DRD2DRD3SLC6A9
SCHEMBL4132717 0.88 MTNR1A (0.49) CYP19A1HTR2CDRD2DRD3
SCHEMBL10205792 0.84 CHRNA7 (0.46) LMNAHSD17B10CYP19A1HTR2CDRD2
SCHEMBL629387 0.83 HTR2C (0.50) LMNAHSD17B10CYP19A1SRD5A1HTR2C
SCHEMBL30715514 0.81 CYP19A1 (0.48) LMNAHSD17B10CYP19A1SRD5A1HTR2C
SCHEMBL30715515 0.81 CYP19A1 (0.48) LMNAHSD17B10CYP19A1SRD5A1HTR2C
SCHEMBL607389 0.80 CYP19A1 (0.52) LMNAHSD17B10CYP19A1SRD5A1HTR2C
SCHEMBL9361618 0.78 CA1 (0.45) LMNAHSD17B10CYP19A1SRD5A1HTR2C

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 13 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
WO-2006106241-A1 PIPERAZINE DERIVATIVES AND USE THEREOF AS SEROTONIN REUPTAKE INHIBITORS OR AS NEUROKININ ANTAGONISTS LES LABORATOIRES SERVIER (FR) 2006-10-12 WO 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
EP-0260555-B1 BENZO-FUSED CYCLOALKANE AND OXA- AND THIA-, CYCLOALKANE TRANS-1,2-DIAMINE DERIVATIVES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-22 EP disclosed
US-5010085-A Analgesis and/or diuretics E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-23 US disclosed
US-4929627-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-29 US disclosed
US-4876269-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-24 US disclosed
EP-0260555-A1 Benzo-fused cycloalkane and oxa- and thia-, cycloalkane trans-1,2-diamine derivatives THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-03-23 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 LMNA 3113/4885HSD17B10 1607/4885CYP19A1 518/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R LMNA 3113/4885HSD17B10 1607/4885CYP19A1 518/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R LMNA 3113/4885HSD17B10 1607/4885CYP19A1 518/4885

“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.