SCHEMBL3089649

SCHEMBL3089649

CCC(=O)N(c1ccccc1)C(CCc1cccc(F)c1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
OPRD1 P41143 3/20 0.41
CCR5 P51681 1/20 0.39
KCNH2 Q12809 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
IDH1 O75874 1/20 0.38
SLC6A4 P31645 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3091540 0.95 SLC6A2 (0.43) OPRM1SLC6A2SLC6A3OPRD1CCR5
SCHEMBL3088993 0.94 SLC6A2 (0.42) OPRM1SLC6A2SLC6A3CCR5KCNH2
SCHEMBL3091600 0.94 OPRM1 (0.44) OPRM1SLC6A2SLC6A3OPRD1KCNH2
SCHEMBL3094952 0.91 OPRM1 (0.43) OPRM1SLC6A2SLC6A3OPRD1KCNH2
SCHEMBL3089729 0.89 OPRM1 (0.43) OPRM1SLC6A2SLC6A3OPRD1KCNH2
SCHEMBL3083015 0.89 OPRM1 (0.43) OPRM1SLC6A2SLC6A3OPRD1KCNH2
SCHEMBL3097551 0.88 IDH1 (0.40) OPRM1SLC6A2SLC6A3KCNH2IDH1
SCHEMBL3249537 0.86 MBTPS1 (0.43) OPRM1SLC6A2SLC6A3OPRD1CCR5
SCHEMBL3083240 0.84 OPRM1 (0.39) OPRM1SLC6A2SLC6A3OPRD1KCNH2
SCHEMBL3081588 0.84 SLC6A3 (0.39) OPRM1SLC6A2SLC6A3OPRD1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234427-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-09-16 US claimed
EP-1987001-B1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-05-05 EP claimed
EP-1987001-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NeuroSearch A/S (DK) 2008-11-05 EP claimed
WO-2007093603-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2007-08-23 WO claimed
US-20100234427-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2010-09-16 US disclosed
EP-1987001-B1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH AS (DK) 2010-05-05 EP disclosed
EP-1987001-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NeuroSearch A/S (DK) 2008-11-05 EP disclosed
WO-2007093603-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2007-08-23 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-20100234427-A1 1-PHENETHYLPIPERIDINE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRL1, OPRM1, OPRK1 OPRM1 2/4885SLC6A2 521/4885SLC6A3 501/4885

“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.