SCHEMBL2157270

SCHEMBL2157270

COc1cc(CCN2CCC(CCOc3ccccc3)CC2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
HTR1A P08908 1/20 0.53
SLC6A4 P31645 1/20 0.53
KCNH2 Q12809 5/20 0.53

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
SCHEMBL1332075 0.90 ABCB1 (0.61) DRD2DRD4HTR1ASLC6A4KCNH2
SCHEMBL4194933 0.90 KCNH2 (0.49) DRD2DRD4HTR1ASLC6A4KCNH2
SCHEMBL12164948 0.88 BCHE (0.55) DRD2DRD4KCNH2
SCHEMBL1333853 0.85 ABCB1 (0.55) DRD2DRD4
SCHEMBL1333831 0.84 ABCB1 (0.57) DRD2DRD4HTR1ASLC6A4KCNH2
SCHEMBL1333268 0.84 HTR1A (0.55) DRD2DRD4HTR1ASLC6A4KCNH2
SCHEMBL1334166 0.84 HTR1A (0.57) DRD2DRD4HTR1ASLC6A4KCNH2
SCHEMBL1333820 0.84 HTR1A (0.71) HTR1ASLC6A4KCNH2
SCHEMBL1334381 0.83 KCNH2 (0.66) HTR1ASLC6A4KCNH2
SCHEMBL1333938 0.83 HTR1A (0.58) DRD2DRD4HTR1ASLC6A4KCNH2

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 5 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-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US 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 (2 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 DRD2 28/4885DRD4 66/4885HTR1A 23/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 DRD2 22/4885DRD4 65/4885HTR1A 50/4885

“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.