SCHEMBL5870720

SCHEMBL5870720

O=C(CCCCC1CCCN(CCc2ccccc2)C1)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
HTR2A P28223 1/20 0.51
CCR2 P41597 2/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL5870734 0.89 BCHE (0.63) CCR2KMT2AALDH1A1POLBLMNA
SCHEMBL5870727 0.80 DRD3 (0.51) LTA4HEPHX2HTR2ACCR2BCHE
SCHEMBL7593091 0.80 ALDH1A1 (0.52) LTA4HEPHX2CCR2KMT2AALDH1A1
SCHEMBL3116231 0.78 SIGMAR1 (0.56) HTR2AKMT2AALDH1A1POLBLMNA
SCHEMBL6331430 0.78 HTR2A (0.78) HTR2AKMT2APOLBMEN1
SCHEMBL28424785 0.78 MEN1 (0.67) LTA4HEPHX2KMT2AALDH1A1KCNH2
SCHEMBL1943094 0.77 CCR2 (0.79) CCR2ACHEKCNH2MAPT
SCHEMBL12538069 0.77 CCR2 (0.79) CCR2ACHEKCNH2MAPT
SCHEMBL7597303 0.76 MAPT (0.50) KMT2AALDH1A1POLBLMNABCHE
SCHEMBL5870879 0.76 DRD3 (0.77) CCR2KMT2APOLBDRD3CHRNB2

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 LTA4H 394/4885EPHX2 480/4885HTR2A 183/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 LTA4H 394/4885EPHX2 480/4885HTR2A 183/4885

“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.