SCHEMBL2157136

SCHEMBL2157136

Fc1ccc(OCCC2CCN(CC(Cc3ccccc3)C3=COCO3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A2 P23975 6/20 0.47
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1332036 0.89 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL2157360 0.87 SLC6A4 (0.48) SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2157274 0.86 SLC6A4 (0.48) SLC6A3SLC6A4KCNH2
SCHEMBL1333967 0.79 HTR1A (0.44) SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL2158456 0.76 KCNA5 (0.45)
SCHEMBL7302397 0.75 SLC6A3 (0.68) SLC6A3
Hydrochloric Acid SCHEMBL7321944 0.74 SLC6A3 (0.67) SLC6A3
SCHEMBL5656404 0.74 NPC1 (0.43)
Hydrochloric Acid SCHEMBL7321403 0.72 KCNH2 (0.73) KCNH2
SCHEMBL3784355 0.72 SIGMAR1 (0.44) SLC6A3SLC6A4SLC6A2

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 4 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
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 SLC6A3 338/4885SLC6A4 424/4885SLC6A2 413/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 SLC6A3 294/4885SLC6A4 497/4885SLC6A2 520/4885

“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.