SCHEMBL11949136

SCHEMBL11949136

CCOP(=O)(Cc1cc(Br)cc(OC)c1)OCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.32
SNCA P37840 1/20 0.32
CALM1 P0DP23 1/20 0.31

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
SCHEMBL1486664 0.89 ALDH1A1 (0.41) MAPTCCNT1CDK9TSHRHTT
SCHEMBL12891138 0.87 TSHR (0.41) MAPTLMNACCNT1CDK9TSHR
SCHEMBL13913115 0.87 TSHR (0.41) MAPTLMNACCNT1CDK9TSHR
SCHEMBL25614635 0.81 PTGS2 (0.50) MAPTHPGDHTTCALM1
SCHEMBL9927129 0.81 DAO (0.42) MAPTCCNT1CDK9TSHRHTT
SCHEMBL9055023 0.81 TSHR (0.36) MAPTCCNT1CDK9TSHRHTT
SCHEMBL1346785 0.79 PGK1 (0.47) LMNAHPGD
SCHEMBL16897969 0.78 TP53 (0.32) GAA
SCHEMBL13913134 0.77 TSHR (0.50) MAPTCCNT1CDK9TSHRHTT
SCHEMBL30323683 0.76 CMA1 (0.47) MAPTLMNACCNT1CDK9

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 16 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
CN-101939297-B Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO 2012-10-17 CN 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
CN-101939297-A Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO 2011-01-05 CN 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 MAPT 3712/4885LMNA 3893/4885HPGD 1917/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MAPT 3712/4885LMNA 3893/4885HPGD 1917/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MAPT 3712/4885LMNA 3893/4885HPGD 1917/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MAPT 3712/4885LMNA 3893/4885HPGD 1917/4885

“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.