SCHEMBL5870727

SCHEMBL5870727

CC(CCC1CCCN(CCc2ccccc2)C1)C(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.51
HTR2A P28223 1/20 0.51
CCR2 P41597 2/20 0.50
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
MAOB P27338 1/20 0.49
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
CCR3 P51677 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
KLK7 P49862 1/20 0.44

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
SCHEMBL5870739 0.89 BCHE (0.62) CCR2BCHEACHEMAOBKCNH2
SCHEMBL5870720 0.80 LTA4H (0.52) DRD3HTR2ACCR2BCHEACHE
SCHEMBL5870715 0.80 DRD3 (0.52) DRD3CCR2BCHEMAOB
SCHEMBL5870654 0.78 DRD3 (0.45) DRD3CCR2
SCHEMBL5870745 0.78 DRD3 (0.45) DRD3CCR2
SCHEMBL7593091 0.77 ALDH1A1 (0.52) DRD3CCR2LTA4HEPHX2
SCHEMBL1943094 0.77 CCR2 (0.79) CCR2ACHEKCNH2
SCHEMBL12538069 0.77 CCR2 (0.79) CCR2ACHEKCNH2
SCHEMBL5870835 0.76 USP30 (0.51) BCHEKLK7
SCHEMBL5870879 0.75 DRD3 (0.77) DRD3CCR2CHRNB2CHRNB4CHRNA3

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
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-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO 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 DRD3 446/4885HTR2A 183/4885CCR2 422/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 DRD3 446/4885HTR2A 183/4885CCR2 422/4885

“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.