SCHEMBL3095555

SCHEMBL3095555

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL2A1 Q16548 2/20 0.39
REN P00797 2/20 0.38
UTS2R Q9UKP6 1/20 0.38
C5AR1 P21730 1/20 0.38
OPRM1 P35372 4/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.37
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
SLC6A2 P23975 1/20 0.36

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
SCHEMBL3083067 0.91 OPRM1 (0.46) ALDH1A1SMN1; SMN2OPRM1MMP1MMP2
SCHEMBL3091637 0.90 OPRM1 (0.46) ALDH1A1SMN1; SMN2OPRM1MMP1MMP2
SCHEMBL3091429 0.89 HSD17B1 (0.43) C5AR1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3083240 0.88 OPRM1 (0.39) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3081588 0.88 SLC6A3 (0.39) OPRM1SLC6A2SLC6A4SLC6A3MBTPS1
SCHEMBL3088108 0.84 SLC6A4 (0.41) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3086775 0.81 KMT2A (0.40) ALDH1A1SMN1; SMN2UTS2RPOLBKMT2A
SCHEMBL3094952 0.80 OPRM1 (0.43) OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL3101074 0.80 OPRM1 (0.44) OPRM1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3089729 0.79 OPRM1 (0.43) ALDH1A1SMN1; SMN2OPRM1SLC6A2SLC6A4

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 ALDH1A1 981/4885SMN1; SMN2 2829/4885BCL2A1 2740/4885

“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.