SCHEMBL2157909

SCHEMBL2157909

COc1cc(CCCC(=O)N2CCN(CCOc3ccc(F)cc3F)CC2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM1A O60341 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CACNA1F O60840 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL2157438 0.92 DRD3 (0.46) KDM4EKMT2AMEN1KDM1ACACNA1F
SCHEMBL2157673 0.88 DRD3 (0.51) POLBKDM1ACACNA1FDRD1DRD4
SCHEMBL2158301 0.86 KMT2A (0.57) KDM4EPOLBKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2157282 0.85 KMT2A (0.56) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL2157454 0.84 SIGMAR1 (0.50) KDM4EKMT2AMEN1CACNA1FDRD1
SCHEMBL7030021 0.83 KDM4E (0.55) KDM4EPOLBKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2157392 0.82 KDM4E (0.54) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL7032807 0.81 DRD3 (0.53) KMT2AALDH1A1CACNA1FDRD1DRD4
SCHEMBL2157289 0.81 DRD3 (0.47) KMT2AMEN1KDM1ACACNA1FDRD1
Hydrochloric Acid SCHEMBL2158183 0.80 DRD3 (0.52) ALDH1A1CACNA1FDRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 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 (1 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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 KDM4E 3431/4885POLB 1933/4885KMT2A 1809/4885

“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.