SCHEMBL1346785

SCHEMBL1346785

COc1cc(Br)cc(CP(=O)(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.47
PGK2 P07205 3/20 0.47
THRA P10827 5/20 0.40
THRB P10828 5/20 0.40
PTPRB P23467 2/20 0.40
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL5798610 0.87 PGK1 (0.55) PGK1PGK2THRATHRBPTPRB
SCHEMBL4412387 0.81 PGK1 (0.56) PGK1PGK2PTPRBGRIN2DGRIN3B
SCHEMBL23580818 0.81 CALM1 (0.53) PGK1PGK2THRATHRBPTPRB
SCHEMBL9017642 0.79 PGK1 (0.47) PGK1PGK2THRATHRBPTPRB
SCHEMBL11949136 0.79 MAPT (0.35) LMNAHPGD
SCHEMBL587024 0.76 DAO (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7672491 0.76 ALDH1A1 (0.40) LMNAHPGDGRIN2DGRIN3BGRIN1
SCHEMBL10350883 0.74 PTGS1 (0.51) THRATHRBLMNA
SCHEMBL5672502 0.74 MMP13 (0.53) PGK1PGK2
SCHEMBL1346989 0.74 ALDH1A1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 US disclosed
EP-2239254-A1 BENZYLPIPERIZINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-13 EP disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
WO-2009099087-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-08-13 WO 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-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PGK1 1497/4885PGK2 2517/4885THRA 4019/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PGK1 1497/4885PGK2 2517/4885THRA 4019/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PGK1 1497/4885PGK2 2517/4885THRA 4019/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 PGK1 1497/4885PGK2 2517/4885THRA 4019/4885

“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.