SCHEMBL8773585

SCHEMBL8773585

CCCOc1cc(CO)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.46
HPGD P15428 3/20 0.42
CSNK2A1 P68400 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 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
SCHEMBL2499099 0.92 SLC6A4 (0.45) SLC6A4ALDH1A1GAAMAPTKDM4E
SCHEMBL3718915 0.88 HPGD (0.49) HPGDCSNK2A1ALDH1A1LMNAGAA
SCHEMBL2406614 0.86 HTT (0.47) SLC6A4HPGDALDH1A1LMNAMAPT
SCHEMBL2408296 0.85 SLC6A4 (0.57) SLC6A4ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL30808273 0.85 SLC6A4 (0.57) SLC6A4ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL8773593 0.84 SLC6A4 (0.43) SLC6A4HPGDCSNK2A1ALDH1A1LMNA
SCHEMBL7038976 0.84 MAPT (0.49) HPGDCSNK2A1ALDH1A1GAAMAPT
SCHEMBL4746647 0.83 SLC6A4 (0.49) SLC6A4HPGDALDH1A1LMNAMAPT
SCHEMBL20745053 0.81 SLC6A4 (0.53) SLC6A4ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL4217006 0.81 CSNK2A1 (0.42) HPGDCSNK2A1ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101440-A1 COMPOUND, ENDOTHELIN A RECEPTOR ANTAGONIST, ANGIOTENSIN II TYPE 1 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2024-05-16 WO disclosed
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 23/4885HPGD 2930/4885CSNK2A1 2407/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885HPGD 1917/4885CSNK2A1 216/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885HPGD 1917/4885CSNK2A1 216/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885HPGD 1917/4885CSNK2A1 216/4885

“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.