SCHEMBL11949129

SCHEMBL11949129

COc1cc(Br)cc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
TGFBR1 P36897 2/20 0.45
SLC2A1 P11166 1/20 0.45
STS P08842 3/20 0.44
BACE1 P56817 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44
HTT P42858 1/20 0.44
GPR119 Q8TDV5 6/20 0.43
SGMS1 Q86VZ5 1/20 0.42
SGMS2 Q8NHU3 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
SCHEMBL11956986 0.88 HTR1A (0.51) IDO1TDO2SLC2A1STSKDM4E
SCHEMBL11949130 0.87 GPR119 (0.48) IDO1TDO2STSKDM4EPKM
SCHEMBL11949133 0.86 IDO1 (0.47) IDO1TDO2TGFBR1STSKDM4E
SCHEMBL1346121 0.84 MEN1 (0.47)
SCHEMBL16825188 0.83 TGFBR1 (0.56) ALDH1A1TGFBR1SLC2A1STSKDM4E
SCHEMBL27798463 0.83 HTR1A (0.38)
SCHEMBL28169019 0.82 ALDH1A1 (0.62) ALDH1A1TGFBR1STSBACE1KDM4E
SCHEMBL16897956 0.82 NR1H2 (0.46) ALDH1A1STSKDM4EEPHX2HTT
SCHEMBL1363304 0.81 KDM4E (0.51) TGFBR1STSKDM4EPKMGPR119
SCHEMBL2932442 0.81 GPR183 (0.53) ALDH1A1KDM4EPKM

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 14 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-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-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-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-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-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
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 US disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 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-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 ALDH1A1 1260/4885IDO1 2499/4885TDO2 2139/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 ALDH1A1 1260/4885IDO1 2499/4885TDO2 2139/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 ALDH1A1 1260/4885IDO1 2499/4885TDO2 2139/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 ALDH1A1 1260/4885IDO1 2499/4885TDO2 2139/4885

“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.