SCHEMBL4127052

SCHEMBL4127052

O=C(O)N1CCN([C@@H]2c3ccccc3CCC[C@@H]2OCc2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKG1 Q13976 2/20 0.40
TACR1 P25103 10/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FAAH O00519 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL5198821 1.00 PRKG1 (0.40) PRKG1TACR1ATMALDH1A1FAAH
SCHEMBL4120428 0.94 ATM (0.42) PRKG1TACR1ATMALDH1A1FAAH
SCHEMBL4120417 0.94 ATM (0.42) PRKG1TACR1ATMALDH1A1FAAH
SCHEMBL4120422 0.94 ATM (0.42) PRKG1TACR1ATMALDH1A1FAAH
SCHEMBL4119444 0.93 ATM (0.40) PRKG1TACR1ATMFAAH
SCHEMBL4119449 0.93 ATM (0.40) PRKG1TACR1ATMFAAH
SCHEMBL4124184 0.88 FAAH (0.36) PRKG1TACR1ATMFAAH
SCHEMBL4124182 0.88 FAAH (0.36) PRKG1TACR1ATMFAAH
SCHEMBL4133370 0.84 TACR1 (0.40) PRKG1TACR1ALDH1A1
SCHEMBL4133373 0.84 TACR1 (0.40) PRKG1TACR1ALDH1A1

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 PRKG1 1286/4885TACR1 45/4885ATM 3151/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R PRKG1 1286/4885TACR1 45/4885ATM 3151/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R PRKG1 1286/4885TACR1 45/4885ATM 3151/4885

“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.