SCHEMBL1333967

SCHEMBL1333967

Fc1ccc(OCCN2CCN(CCC(Cc3ccccc3)C3=COCO3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A4 P31645 7/20 0.44
SLC6A3 Q01959 7/20 0.44
LTA4H P09960 9/20 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
SCHEMBL1332745 0.93 ALDH1A1 (0.47) TMEM97SIGMAR1LTA4H
SCHEMBL2157360 0.92 SLC6A4 (0.48) HTR1ADRD2HTR2AHRH1DRD3
Hydrochloric Acid SCHEMBL2157274 0.91 SLC6A4 (0.48) HTR1ADRD2HTR2AHRH1DRD3
Hydrochloric Acid SCHEMBL2157331 0.82 KCNA5 (0.48) HTR1ADRD2HTR2AHRH1DRD3
Hydrochloric Acid SCHEMBL2158456 0.81 KCNA5 (0.45) HTR1ADRD2HTR2ADRD3TMEM97
SCHEMBL2157136 0.79 SLC6A3 (0.47) SLC6A4SLC6A3
SCHEMBL1730306 0.71 LTA4H (0.77) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL7031231 0.71 SIGMAR1 (0.68) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL1299631 0.70 SIGMAR1 (0.52) SIGMAR1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2157442 0.70 ALDH1A1 (0.69) HTR1ADRD2HTR2AHRH1DRD3

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-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US claimed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP claimed
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-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 23/4885DRD2 28/4885HTR2A 42/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 49/4885DRD2 17/4885HTR2A 57/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 50/4885DRD2 22/4885HTR2A 52/4885

“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.