SCHEMBL3086775

SCHEMBL3086775

CCC(=O)N(c1ccc2c(c1)OCO2)C(CCc1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 4/20 0.39
MAPK1 P28482 3/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL3086300 0.91 SMN1; SMN2 (0.43) KMT2ANPC1RAB9ATRPM8MEN1
SCHEMBL3081588 0.83 SLC6A3 (0.39) SLC6A2SLC6A4
SCHEMBL3083240 0.83 OPRM1 (0.39) LMNAHTTSLC6A2SLC6A4
SCHEMBL3095555 0.81 ALDH1A1 (0.40) KMT2APOLBSMN1; SMN2ALDH1A1SLC6A2
SCHEMBL3091429 0.80 HSD17B1 (0.43) MAPTLMNAHTTSLC6A2SLC6A4
SCHEMBL3088108 0.79 SLC6A4 (0.41) SLC6A2SLC6A4HTR2A
SCHEMBL3097551 0.76 IDH1 (0.40) SLC6A2SLC6A4
SCHEMBL3094952 0.75 OPRM1 (0.43) SLC6A2SLC6A4
SCHEMBL3083015 0.74 OPRM1 (0.43) KMT2AMEN1SLC6A2SLC6A4
SCHEMBL3089729 0.74 OPRM1 (0.43) SMN1; SMN2ALDH1A1SLC6A2SLC6A4

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 6 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
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 KMT2A 1038/4885NPC1 2637/4885RAB9A 2867/4885

“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.