SCHEMBL4128300

SCHEMBL4128300

COc1ccc2c(c1)C[C@@H](OCc1cc(Br)cc(Br)c1)[C@@H]2N1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.39
MTNR1A P48039 5/20 0.38
GRIN2C Q14957 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4128298 1.00 MTNR1B (0.39) MTNR1BMTNR1AGRIN2CKDM4EALDH1A1
SCHEMBL4124182 0.85 FAAH (0.36) KDM4E
SCHEMBL4124184 0.85 FAAH (0.36) KDM4E
SCHEMBL4121207 0.84 SIGMAR1 (0.36)
SCHEMBL4121203 0.84 SIGMAR1 (0.36)
SCHEMBL4120422 0.78 ATM (0.42) MTNR1BKDM4EALDH1A1
SCHEMBL4120417 0.78 ATM (0.42) MTNR1BKDM4EALDH1A1
SCHEMBL4120428 0.78 ATM (0.42) MTNR1BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4132226 0.77 SIGMAR1 (0.39) MTNR1B
Hydrochloric Acid SCHEMBL4132230 0.77 SIGMAR1 (0.39) MTNR1B

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 8 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

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 MTNR1B 187/4885MTNR1A 156/4885GRIN2C 293/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R MTNR1B 187/4885MTNR1A 156/4885GRIN2C 293/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R MTNR1B 187/4885MTNR1A 156/4885GRIN2C 293/4885

“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.