SCHEMBL4131744

SCHEMBL4131744

C=CCCOc1ccc(Br)cc1C=C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.38

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
SCHEMBL14147505 0.87 PTGDR2 (0.59) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL7143238 0.84 HPGD (0.69) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL4897163 0.81 HPGD (0.55) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL4044027 0.81 HPGD (0.64) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL4894863 0.79 HPGD (0.46) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL2796294 0.78 HPGD (0.43) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL17399930 0.78 HPGD (0.47) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL20802641 0.78 KDM4E (0.52) HPGDALDH1A1TSHRPOLBCTDSP1
SCHEMBL4471981 0.75 MEN1 (0.57) ALDH1A1TSHRPOLBTDP1L3MBTL1
SCHEMBL129594 0.74 AMY1A (0.51) ALDH1A1L3MBTL1LMNACYP1A2CYP3A4

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 HPGD 1704/4885ALDH1A1 1565/4885TSHR 448/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R HPGD 1704/4885ALDH1A1 1565/4885TSHR 448/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R HPGD 1704/4885ALDH1A1 1565/4885TSHR 448/4885

“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.