SCHEMBL1346161

SCHEMBL1346161

O=C(O)N1CCC(Cc2ccc(Br)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK14 Q16539 2/20 0.49
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CCR3 P51677 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FAAH O00519 1/20 0.42
POLB P06746 1/20 0.42
SPR P35270 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL23365206 0.87 CYP2C9 (0.52) CYP2C9CYP2C19MAPK14KCNH2HRH3
SCHEMBL6114819 0.85 HTR1A (0.49) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL1872372 0.84 CYP2C9 (0.49) CYP2C9CYP2C19MAPK14KCNH2HRH3
SCHEMBL23365142 0.84 CCR3 (0.57) CYP2C9CYP2C19MAPK14CCR3MEN1
SCHEMBL11949137 0.82 GPR119 (0.49)
SCHEMBL23365144 0.81 CYP2C9 (0.55) CYP2C9CYP2C19MAPK14KCNH2HRH3
SCHEMBL23365125 0.81 SPR (0.49) CYP2C9CYP2C19MAPK14LMNACCR3
SCHEMBL29032247 0.81 SLC6A4 (0.42) KCNH2
SCHEMBL6393062 0.81 MAPK14 (0.52) CYP2C9CYP2C19MAPK14LMNAKCNH2
SCHEMBL2925616 0.80 MEN1 (0.60) CYP2C9CYP2C19MAPK14MEN1KMT2A

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 CYP2C9 322/4885CYP2C19 82/4885MAPK14 1295/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 CYP2C9 322/4885CYP2C19 82/4885MAPK14 1295/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 CYP2C9 322/4885CYP2C19 82/4885MAPK14 1295/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 CYP2C9 322/4885CYP2C19 82/4885MAPK14 1295/4885

“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.