SCHEMBL4133742

SCHEMBL4133742

Fc1cc(F)cc(CO[C@@H]2Cc3ccccc3[C@@H]2N2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.42
TAAR1 Q96RJ0 1/20 0.37
SLC9A3 P48764 2/20 0.35
HTR6 P50406 2/20 0.34
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 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
SCHEMBL5198903 1.00 TACR1 (0.42) TACR1TAAR1SLC9A3HTR6HTR1A
SCHEMBL5198894 1.00 TACR1 (0.42) TACR1TAAR1SLC9A3HTR6HTR1A
Hydrochloric Acid SCHEMBL4127586 0.99 TACR1 (0.42) TACR1TAAR1SLC9A3HTR6HTR1A
Hydrochloric Acid SCHEMBL4127599 0.99 TACR1 (0.42) TACR1TAAR1SLC9A3HTR6HTR1A
Hydrochloric Acid SCHEMBL4127603 0.99 TACR1 (0.42) TACR1TAAR1SLC9A3HTR6HTR1A
SCHEMBL5198136 0.93 TACR1 (0.37) TACR1TAAR1
SCHEMBL5198139 0.93 TACR1 (0.37) TACR1TAAR1
Hydrochloric Acid SCHEMBL4126780 0.92 TACR1 (0.36) TACR1TAAR1
Hydrochloric Acid SCHEMBL4126783 0.92 TACR1 (0.36) TACR1TAAR1
SCHEMBL5198838 0.87 HTR1A (0.42) TACR1TAAR1SLC9A3HTR6HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US claimed
EP-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP claimed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US claimed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP claimed
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 TACR1 45/4885TAAR1 77/4885SLC9A3 2096/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R TACR1 45/4885TAAR1 77/4885SLC9A3 2096/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R TACR1 45/4885TAAR1 77/4885SLC9A3 2096/4885

“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.