SCHEMBL3083067

SCHEMBL3083067

CCC(=O)N(c1ccc(F)cc1)C(CCc1ccc(OC)cc1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL3088108 0.93 SLC6A4 (0.41) OPRM1HTR2ATACR1SLC6A4
SCHEMBL3095555 0.91 ALDH1A1 (0.40) OPRM1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL3091637 0.91 OPRM1 (0.46) OPRM1ALDH1A1SMN1; SMN2CHRM2CHRM3
SCHEMBL3089729 0.88 OPRM1 (0.43) OPRM1ALDH1A1SMN1; SMN2CHRM1CHRM3
SCHEMBL3083015 0.88 OPRM1 (0.43) OPRM1MEN1KMT2ACHRM2CHRM1
SCHEMBL3097551 0.83 IDH1 (0.40) OPRM1TACR1SLC6A4
SCHEMBL3088993 0.83 SLC6A2 (0.42) OPRM1ALDH1A1MLNRTACR1SLC6A4
SCHEMBL3094952 0.81 OPRM1 (0.43) OPRM1CHRM1CHRM3SLC6A4
SCHEMBL3249537 0.81 MBTPS1 (0.43) OPRM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3101074 0.81 OPRM1 (0.44) OPRM1KDM4EMEN1KMT2ACHRM2

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 2/4885ALDH1A1 981/4885SMN1; SMN2 2829/4885

“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.