SCHEMBL1344698

SCHEMBL1344698

COc1cc(Br)cc(C=C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.41
EGFR P00533 8/20 0.40
NFE2L2 Q16236 1/20 0.38
MCHR1 Q99705 1/20 0.36
GPR183 P32249 2/20 0.36
SRD5A2 P31213 1/20 0.35
OGA O60502 1/20 0.35
KCNH2 Q12809 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL1346896 0.86 KDM4E (0.33) MCHR1GPR183SRD5A2OGA
SCHEMBL12128813 0.84 ABCB1 (0.43) XDHEGFR
SCHEMBL6392741 0.80 OGA (0.51) EGFROGA
SCHEMBL5211605 0.75 HSD11B1 (0.49) XDHSRD5A2
SCHEMBL14720788 0.74 SRD5A2 (0.48) MCHR1GPR183SRD5A2
SCHEMBL4714589 0.74 HTT (0.40) SRD5A2
SCHEMBL1011235 0.73 FAAH (0.55)
SCHEMBL1896056 0.73 EPHX2 (0.45)
SCHEMBL11956985 0.72 GCK (0.40)
SCHEMBL11949134 0.72 XDH (0.38) XDHEGFRNFE2L2APP

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
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

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 XDH 539/4885EGFR 4239/4885NFE2L2 718/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 XDH 539/4885EGFR 4239/4885NFE2L2 718/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 XDH 539/4885EGFR 4239/4885NFE2L2 718/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 XDH 539/4885EGFR 4239/4885NFE2L2 718/4885

“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.