SCHEMBL4119449

SCHEMBL4119449

O=C(O)N1CCCN([C@@H]2c3ccccc3CC[C@H]2OCc2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
FAAH O00519 1/20 0.37
PRKG1 Q13976 2/20 0.37
TACR1 P25103 10/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4119444 1.00 ATM (0.40) ATMFAAHPRKG1TACR1TMEM97
SCHEMBL4120428 0.96 ATM (0.42) ATMFAAHPRKG1TACR1
SCHEMBL4120417 0.96 ATM (0.42) ATMFAAHPRKG1TACR1
SCHEMBL4120422 0.96 ATM (0.42) ATMFAAHPRKG1TACR1
SCHEMBL4127052 0.93 PRKG1 (0.40) ATMFAAHPRKG1TACR1
SCHEMBL5198821 0.93 PRKG1 (0.40) ATMFAAHPRKG1TACR1
SCHEMBL4124182 0.86 FAAH (0.36) ATMFAAHPRKG1TACR1
SCHEMBL4124184 0.86 FAAH (0.36) ATMFAAHPRKG1TACR1
SCHEMBL4127133 0.82 ATM (0.44) ATMPRKG1TACR1
SCHEMBL4139837 0.81 TACR1 (0.39) ATMPRKG1TACR1

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 ATM 3151/4885FAAH 1992/4885PRKG1 1286/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R ATM 3151/4885FAAH 1992/4885PRKG1 1286/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R ATM 3151/4885FAAH 1992/4885PRKG1 1286/4885

“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.