SCHEMBL5870735

SCHEMBL5870735

O=C(C1CC1)N(CC1CCCN(CCc2ccccc2)C1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
KMT2A Q03164 2/20 0.45
CCR2 P41597 1/20 0.45
OPRM1 P35372 3/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL5870761 0.90 OPRM1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL5870979 0.90 OPRD1 (0.52) CHRNA4OPRM1OPRD1OPRK1
SCHEMBL5870796 0.85 KMT2A (0.53) KMT2AOPRM1OPRD1OPRK1
SCHEMBL5871105 0.83 SMN1; SMN2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL5870682 0.79 OPRD1 (0.62) CHRNA4OPRM1OPRD1OPRK1
SCHEMBL5870685 0.79 OPRD1 (0.62) CHRNA4OPRM1OPRD1OPRK1
SCHEMBL5870753 0.79 OPRD1 (0.62) CHRNA4OPRM1OPRD1OPRK1
SCHEMBL5870896 0.76 ALDH1A1 (0.52) CHRNB2CHRNA4OPRM1ALDH1A1MAPT
SCHEMBL7226707 0.76 KDM4E (0.49) CHRNB2CHRNB4CHRNA3CHRNA4KMT2A
SCHEMBL5870944 0.76 OPRM1 (0.50) KMT2AOPRM1OPRD1OPRK1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129228-B2 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. (US) 2006-10-31 US disclosed
US-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof CUNY GREGORY D (US) 2004-10-21 US disclosed
US-6677332-B1 AMIDE-SUBSTITUTED PIPERIDINE OR AZEPINE DERIVATIVES TO TREAT DRUG ABUSE AND TINNITUS SEPRACOR, INC. 2004-01-13 US disclosed
US-6645980-B1 Ligands for biological receptors such as opiate receptors or G-protein coupled receptors used for treating pain, drug dependence or tinnitus in mammals SEPRACOR INC. 2003-11-11 US disclosed
US-6635661-B2 Piperidinyl amide compounds SEPRACOR INC. 2003-10-21 US disclosed
WO-2002069895-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHODS OF USE THEREOF SEPRACOR, INC. (US) 2002-09-12 WO disclosed
EP-1187810-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2002-03-20 EP disclosed
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. 2002-02-07 US disclosed
WO-2000071518-A2 HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE SEPRACOR, INC. (US) 2000-11-30 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 (2 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-20040209846-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 CHRNB2 261/4885CHRNB4 280/4885CHRNA3 151/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 CHRNB2 261/4885CHRNB4 280/4885CHRNA3 151/4885

“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.