SCHEMBL5870879

SCHEMBL5870879

O=C(Nc1ccccc1)C1CCCN(CCc2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.77
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 2/20 0.56
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
HPGD P15428 1/20 0.54
OGA O60502 1/20 0.53
ROCK2 O75116 1/20 0.53
CCR2 P41597 1/20 0.53
ROCK1 Q13464 1/20 0.53
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL21169293 0.83 DRD3 (0.61) DRD3KMT2AHPGDOGACARM1
SCHEMBL2450443 0.82 KMT2A (0.60) DRD3KDM4EKMT2AGAA
SCHEMBL1553646 0.80 CYP3A4 (0.69) DRD3KDM4EKMT2AHPGDOGA
SCHEMBL19002751 0.79 PKM (0.63) DRD3KMT2AHPGDCARM1PRMT6
SCHEMBL14874212 0.79 PKM (0.63) DRD3KMT2AHPGDCARM1PRMT6
SCHEMBL6154448 0.78 ROCK2 (0.61) DRD3KDM4EKMT2AHPGDROCK2
SCHEMBL24213204 0.77 DRD3 (0.54) DRD3KDM4EKMT2ACHRNB2CHRNB4
SCHEMBL12538069 0.77 CCR2 (0.79) KDM4ECCR2
SCHEMBL1943094 0.77 CCR2 (0.79) KDM4ECCR2
SCHEMBL1554375 0.77 CARM1 (0.59) DRD3CARM1PRMT6

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 10 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-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 446/4885KDM4E 4237/4885KMT2A 3690/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 DRD3 446/4885KDM4E 4237/4885KMT2A 3690/4885

“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.