SCHEMBL1332159

SCHEMBL1332159

COc1ccc(CCN2CCC(CCOc3ccc(C#N)cc3)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
SLC6A4 P31645 1/20 0.55
KCNH2 Q12809 2/20 0.50
ABCB1 P08183 1/20 0.49
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47

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
SCHEMBL1332067 0.91 HTR1A (0.62) HTR1ASLC6A4KCNH2ABCB1
SCHEMBL1332723 0.89 HTR1A (0.58) HTR1ASLC6A4KCNH2ABCB1DRD2
SCHEMBL3842761 0.88 KCNH2 (0.47) HTR1ASLC6A4KCNH2ABCB1HRH2
SCHEMBL1334166 0.88 HTR1A (0.57) HTR1ASLC6A4KCNH2ABCB1DRD2
SCHEMBL1333139 0.88 HTR1A (0.57) HTR1ASLC6A4KCNH2ABCB1
SCHEMBL1332075 0.87 ABCB1 (0.61) HTR1ASLC6A4KCNH2ABCB1DRD2
SCHEMBL1333264 0.87 KCNJ1 (0.55) KCNH2HRH3
Hydrochloric Acid SCHEMBL1334285 0.86 KCNJ1 (0.53) KCNH2
SCHEMBL1332768 0.86 HTR1A (0.55) HTR1ASLC6A4KCNH2ABCB1DRD2
SCHEMBL1332758 0.86 HTR1A (0.55) HTR1ASLC6A4KCNH2ABCB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US claimed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 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 (3 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 HTR1A 23/4885SLC6A4 424/4885KCNH2 332/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 49/4885SLC6A4 488/4885KCNH2 369/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 50/4885SLC6A4 497/4885KCNH2 360/4885

“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.