SCHEMBL5870734

SCHEMBL5870734

O=C(CCCCC1CCCN(Cc2ccccc2)C1)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.63
ACHE P22303 3/20 0.63
MAOB P27338 2/20 0.63
CACNA1G O43497 1/20 0.52
CCR2 P41597 1/20 0.49
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL5870720 0.89 LTA4H (0.52) BCHEACHEMAOBCCR2KCNH2
SCHEMBL7597303 0.82 MAPT (0.50) BCHEACHEMAOBALDH1A1POLB
SCHEMBL7636973 0.80 BCHE (0.46) BCHEACHEMAOBALDH1A1POLB
SCHEMBL28424785 0.79 MEN1 (0.67) KCNH2ALDH1A1KMT2A
SCHEMBL5870739 0.79 BCHE (0.62) BCHEACHEMAOBCCR2KCNH2
SCHEMBL12059418 0.77 BCHE (0.66) BCHEACHEMAOBPOLBKMT2A
SCHEMBL5463699 0.77 ALDH1A1 (0.55) BCHEACHEMAOBALDH1A1POLB
SCHEMBL7580992 0.77 BCHE (0.66) BCHEACHECCR2POLBKMT2A
SCHEMBL28952283 0.77 CYP2D6 (0.57) BCHEACHEMAOBALDH1A1
SCHEMBL30979855 0.76 EPHX2 (0.65) KCNH2ALDH1A1KMT2A

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 7 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
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof SEPRACOR INC. 2002-02-07 US 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 BCHE 1493/4885ACHE 295/4885MAOB 780/4885
US-20020016337-A1 Heterocyclic analgesic compounds and methods of use thereof OPRL1, TRPV1, OPRK1 BCHE 1493/4885ACHE 295/4885MAOB 780/4885

“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.