SCHEMBL8773592

SCHEMBL8773592

CCCOc1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.47
GPR119 Q8TDV5 7/20 0.45
HTR1A P08908 7/20 0.44
CYP2D6 P10635 5/20 0.44
SCN9A Q15858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL8837960 0.91 SLC6A4 (0.59) SLC6A4HTR1ACYP2D6SCN9AKDM4E
SCHEMBL11949143 0.89 GPR119 (0.45) GPR119SCN9AKDM4EPKMPDE4A
SCHEMBL11949147 0.88 GPR119 (0.45) SLC6A4GPR119HTR1ASCN9AKDM4E
SCHEMBL9943153 0.88 HTR1A (0.43) SLC6A4GPR119HTR1ACYP2D6KDM4E
SCHEMBL8773651 0.88 HTR1A (0.43) SLC6A4GPR119HTR1ACYP2D6KDM4E
SCHEMBL6115159 0.83 KDM4E (0.47) SLC6A4GPR119HTR1ACYP2D6KDM4E
SCHEMBL11949137 0.82 GPR119 (0.49) GPR119SCN9AKDM4EPKM
SCHEMBL11949130 0.80 GPR119 (0.48) SLC6A4GPR119HTR1AKDM4EPKM
SCHEMBL12128826 0.80 SLC6A4 (0.49) SLC6A4GPR119HTR1ACYP2D6SCN9A
SCHEMBL6114864 0.80 HTR1A (0.45) SLC6A4HTR1ACYP2D6

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-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 US disclosed
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 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 (4 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B SLC6A4 23/4885GPR119 733/4885HTR1A 2/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885GPR119 2104/4885HTR1A 39/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885GPR119 2104/4885HTR1A 39/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885GPR119 2104/4885HTR1A 39/4885

“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.