SCHEMBL6087903

SCHEMBL6087903

O=C1CCCCCC2CNCCN12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
HTR2C P28335 14/20 0.43
HTR2B P41595 14/20 0.43
HTR2A P28223 8/20 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
SCHEMBL981281 0.93 HTR2C (0.45) HTR6HTR2CHTR2BHTR2A
SCHEMBL21209411 0.93 HTR2C (0.45) HTR6HTR2CHTR2BHTR2A
SCHEMBL21193054 0.93 HTR2C (0.45) HTR6HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL3760136 0.91 HTR2C (0.44) HTR6HTR2CHTR2BHTR2A
SCHEMBL24710914 0.88 HTR6 (0.41) HTR6HTR2CHTR2BHTR2A
SCHEMBL29145763 0.88 HTR6 (0.41) HTR6HTR2CHTR2BHTR2A
SCHEMBL28646738 0.86 HTR6 (0.42) HTR6HTR2CHTR2BHTR2A
SCHEMBL16382755 0.86 HTR6 (0.42) HTR6HTR2CHTR2BHTR2A
SCHEMBL337591 0.85 HTR2C (0.51) HTR2CHTR2BHTR2A
SCHEMBL337619 0.85 HTR2C (0.51) HTR2CHTR2BHTR2A

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-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP disclosed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US disclosed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO 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 (1 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-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 HTR6 3539/4885HTR2C 2585/4885HTR2B 1273/4885

“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.