SCHEMBL4866771

SCHEMBL4866771

CCCN(CCCCN1CCCCC1=O)C(C)Cc1ccc(F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 2/20 0.36
ADRA1B P35368 3/20 0.36
MCHR1 Q99705 1/20 0.35
CXCR3 P49682 3/20 0.35
ADRA1A P35348 2/20 0.35
ATM Q13315 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL4875539 0.88 ADAMTS5 (0.40) KMT2ARAB9AADRA1BCXCR3ADRA1A
SCHEMBL4870291 0.88 L3MBTL1 (0.38) KMT2ARAB9AADRA1BADRA1ASIGMAR1
SCHEMBL4871569 0.86 RAB9A (0.41) KMT2ARAB9AADRA1BADRA1AATM
SCHEMBL4866744 0.83 HPGD (0.38) KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL4875623 0.81 HTR2A (0.39) KMT2AMEN1SMN1; SMN2ADRA1ASIGMAR1
SCHEMBL4876222 0.81 CYP2D6 (0.48) RAB9ACXCR3
SCHEMBL4875116 0.81 ADAMTS5 (0.43) KMT2AMEN1CXCR3SIGMAR1LMNA
SCHEMBL4866652 0.81 MEN1 (0.41) KMT2AMEN1SMN1; SMN2RAB9AADRA1B
SCHEMBL4874172 0.81 SLC6A4 (0.40) KMT2AMEN1RAB9AADRA1BLMNA
SCHEMBL4876330 0.80 POLB (0.37) KMT2AMEN1CYP3A4CYP2C19RAB9A

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 KMT2A 1941/4885MEN1 1954/4885CYP1A2 308/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885CYP1A2 237/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885CYP1A2 237/4885

“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.