SCHEMBL5281397

SCHEMBL5281397

COc1cccc(NCCC2CCN(CCc3ccccc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.67
SLC6A4 P31645 4/20 0.67
CCR3 P51677 1/20 0.55

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
SCHEMBL5276521 0.88 ACHE (0.61) HTR1ASLC6A4
SCHEMBL5277741 0.85 CCR3 (0.61) CCR3
SCHEMBL5284466 0.83 HTR7 (0.54) CCR3
SCHEMBL5276756 0.82 SIGMAR1 (0.56) CCR3
SCHEMBL1334517 0.80 ABCB1 (0.60) HTR1ASLC6A4
SCHEMBL5279443 0.80 CCR3 (0.65) HTR1ASLC6A4CCR3
SCHEMBL1333820 0.79 HTR1A (0.71) HTR1ASLC6A4
SCHEMBL5279438 0.77 CCR3 (0.55) CCR3
SCHEMBL17325326 0.77 SIGMAR1 (0.56) HTR1ASLC6A4CCR3
SCHEMBL16056670 0.77 KCNH2 (0.72)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406623-B1 SUBSTITUTED 1-PHENETHYLPIPERIDINE COMPOUNDS USED AS INTER ALIA ANALGESICS GRUENENTHAL GMBH (DE) 2007-12-12 EP claimed
EP-1406623-B1 SUBSTITUTED 1-PHENETHYLPIPERIDINE COMPOUNDS USED AS INTER ALIA ANALGESICS GRUENENTHAL GMBH (DE) 2007-12-12 EP disclosed
US-20040171640-A1 Substituted 1-phenethylpiperidine compounds used as inter alia analgesics GRUNENTHAL GMBH (DE) 2004-09-02 US disclosed
EP-1406623-A1 SUBSTITUTED 1-PHENETHYLPIPERIDINE COMPOUNDS USED AS INTER ALIA ANALGESICS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004026-A1 SUBSTITUTED 1-PHENETHYLPIPERIDINE COMPOUNDS USED AS INTER ALIA ANALGESICS Grünenthal GmbH (DE) 2003-01-16 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-20040171640-A1 Substituted 1-phenethylpiperidine compounds used as inter alia analgesics PNMT, OPRK1, OPRM1 HTR1A 11/4885SLC6A4 352/4885CCR3 2603/4885

“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.