SCHEMBL3087624

SCHEMBL3087624

C=CCCC(C1CCNCC1)N(C(=O)CC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.40
OPRM1 P35372 4/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
SLC6A2 P23975 7/20 0.37
SLC6A4 P31645 7/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
OPRL1 P41146 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3094952 0.85 OPRM1 (0.43) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3098490 0.82 OPRD1 (0.43) OPRD1OPRM1SMYD3SLC6A2SLC6A4
SCHEMBL3083015 0.81 OPRM1 (0.43) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3249537 0.81 MBTPS1 (0.43) OPRD1OPRM1SMYD3SLC6A2SLC6A4
SCHEMBL3081588 0.81 SLC6A3 (0.39) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3089746 0.80 TRPM8 (0.46) OPRD1OPRM1TRPM8SMYD3SLC6A2
SCHEMBL3089729 0.79 OPRM1 (0.43) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3089649 0.79 OPRM1 (0.44) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3083240 0.78 OPRM1 (0.39) OPRD1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3086838 0.78 SLC6A2 (0.40) OPRD1OPRM1SMYD3SLC6A2SLC6A4

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 OPRD1 4/4885OPRM1 2/4885TRPM8 89/4885

“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.