SCHEMBL2158301

SCHEMBL2158301

COc1cc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
HTR7 P34969 1/20 0.46

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
Hydrochloric Acid SCHEMBL2157282 0.99 KMT2A (0.56) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL2157710 0.90 CYP2C9 (0.53) KMT2AMEN1KDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL2157619 0.89 CYP2C9 (0.52) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL7030021 0.87 KDM4E (0.55) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL2157422 0.86 SIGMAR1 (0.49) KMT2AMEN1KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL2157392 0.86 KDM4E (0.54) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL2157909 0.86 KDM4E (0.47) KMT2AMEN1KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL2157676 0.85 KCNH2 (0.49) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL2157454 0.85 SIGMAR1 (0.50) KMT2AMEN1KDM4EDRD2DRD3
SCHEMBL2158039 0.84 KDM4E (0.52) KMT2AMEN1KDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US claimed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
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
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US disclosed
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP disclosed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP disclosed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO 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 KMT2A 1809/4885MEN1 2035/4885KDM4E 3431/4885

“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.