SCHEMBL5276756

SCHEMBL5276756

FC(F)(F)c1cccc(NCCC2CCN(CCc3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.56
CHRM4 P08173 3/20 0.51
CCR3 P51677 1/20 0.50
MAOB P27338 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
DCUN1D1 Q96GG9 3/20 0.49
UBE2M P61081 2/20 0.49

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
SCHEMBL5277741 0.87 CCR3 (0.61) CCR3CARM1PRMT6
SCHEMBL5284466 0.85 HTR7 (0.54) CHRM4CCR3CARM1PRMT6
SCHEMBL4773945 0.83 CCR3 (0.64) SIGMAR1CCR3CARM1PRMT6DCUN1D1
SCHEMBL5276763 0.83 DCUN1D1 (0.60) DCUN1D1UBE2M
Hydrochloric Acid SCHEMBL7185881 0.82 CCR3 (0.63) SIGMAR1CCR3DCUN1D1UBE2M
Hydrochloric Acid SCHEMBL7465942 0.82 CCR3 (0.63) SIGMAR1CCR3DCUN1D1UBE2M
SCHEMBL5281397 0.82 HTR1A (0.67) CCR3
SCHEMBL5279438 0.79 CCR3 (0.55) CHRM4CCR3CARM1PRMT6
SCHEMBL1332018 0.76 KCNH2 (0.64) SIGMAR1MAOB
SCHEMBL5276521 0.76 ACHE (0.61)

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 SIGMAR1 30/4885CHRM4 524/4885CCR3 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.