SCHEMBL2157359

SCHEMBL2157359

N#Cc1ccc(OCCN2CCN(CCc3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.61
KCNJ1 P48048 3/20 0.61
HRH3 Q9Y5N1 6/20 0.50
KCNA5 P22460 4/20 0.49
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
LTA4H P09960 1/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NTRK1 P04629 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
SCHEMBL2157301 0.86 LTA4H (0.55) KCNH2KCNA5ALDH1A1LTA4HSLC6A4
SCHEMBL2158179 0.86 KCNH2 (0.64) KCNH2HRH3KCNA5LTA4H
SCHEMBL1714312 0.81 HRH3 (0.71) KCNH2KCNJ1HRH3KCNA5HRH2
SCHEMBL1334388 0.79 ALDH1A1 (0.54) KCNH2HRH3KCNA5HRH2HRH1
SCHEMBL4626549 0.79 TSHR (0.73) KCNH2HRH3ALDH1A1TSHRSLC6A4
SCHEMBL2723136 0.78 KCNH2 (1.00) KCNH2KCNJ1HRH3HRH1
Hydrochloric Acid SCHEMBL2158155 0.78 ALDH1A1 (0.53) KCNH2HRH3KCNA5HRH2HRH1
SCHEMBL1333208 0.78 SIGMAR1 (0.53) ALDH1A1
SCHEMBL1730302 0.77 LTA4H (0.63) HRH3KCNA5HRH2HRH1ALDH1A1
SCHEMBL4626311 0.77 ALDH1A1 (0.75) HRH3ALDH1A1TSHRSLC6A4SLC6A3

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 6 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-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP 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 KCNH2 332/4885KCNJ1 519/4885HRH3 158/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 KCNH2 360/4885KCNJ1 572/4885HRH3 126/4885

“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.