SCHEMBL4864679

SCHEMBL4864679

CC(C)N(CCCCN1CCCCC1=O)C(C)Cc1ccc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
DRD4 P21917 1/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
CYP3A4 P08684 1/20 0.33
CALCRL Q16602 1/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.33
BACE1 P56817 1/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL27490109 0.80 KDM4E (0.34) KDM4EHSD17B10HPGDALKBH5FTO
SCHEMBL4872409 0.79 SMN1; SMN2 (0.39) HPGDRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4866715 0.78 KMT2A (0.39) KDM4EHPGDRAB9AKMT2ACYP3A4
SCHEMBL4870508 0.77 HTR2A (0.40) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4873850 0.77 KMT2A (0.38) KDM4EHPGDRAB9AKMT2ACYP3A4
SCHEMBL4863314 0.75 KMT2A (0.34) HPGDRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4863305 0.75 KMT2A (0.34) HPGDRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4874375 0.75 MEN1 (0.33) HPGDRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4872663 0.75 RAB9A (0.34) KDM4ERAB9AKMT2AMEN1ALDH1A1
SCHEMBL4870298 0.70 POLB (0.36) KDM4EHSD17B10HPGDRAB9AKMT2A

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-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 US disclosed
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 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 (3 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 KDM4E 2261/4885HSD17B10 2354/4885HPGD 1395/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KDM4E 2601/4885HSD17B10 2251/4885HPGD 1194/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KDM4E 2601/4885HSD17B10 2251/4885HPGD 1194/4885

“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.