SCHEMBL4121207

SCHEMBL4121207

COc1ccc2c(c1)C[C@@H](OCc1cc(Br)cc(Br)c1)[C@@H]2N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ADRB1 P08588 1/20 0.35
HTR2C P28335 3/20 0.35
TACR1 P25103 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 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
SCHEMBL4121203 1.00 SIGMAR1 (0.36) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5770537 0.93 SIGMAR1 (0.39) SIGMAR1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4132226 0.93 SIGMAR1 (0.39) SIGMAR1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4132230 0.93 SIGMAR1 (0.39) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5200282 0.93 SIGMAR1 (0.39) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5199776 0.90 HTR2C (0.39) SIGMAR1HTR2CHTR2BDRD2DRD1
SCHEMBL5199775 0.90 HTR2C (0.39) SIGMAR1HTR2CHTR2BDRD2DRD1
Hydrochloric Acid SCHEMBL4132033 0.89 SIGMAR1 (0.39) SIGMAR1HTR2CHTR2BDRD2DRD1
Hydrochloric Acid SCHEMBL4132036 0.89 SIGMAR1 (0.39) SIGMAR1HTR2CHTR2BDRD2DRD1
SCHEMBL5198931 0.85 SIGMAR1 (0.44) SIGMAR1HTR2CHTR2AHTR2B

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 5 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
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US 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 SIGMAR1 64/4885HTR3E 121/4885HTR3B 82/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R SIGMAR1 64/4885HTR3E 121/4885HTR3B 82/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R SIGMAR1 64/4885HTR3E 121/4885HTR3B 82/4885

“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.