SCHEMBL4871569

SCHEMBL4871569

CCCN(CCCCN1CCCCC1=O)C(C)Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ADRA1B P35368 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ADRA1A P35348 1/20 0.37
SLC6A3 Q01959 2/20 0.37
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
PER2 O15055 1/20 0.35
CRY2 Q49AN0 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4870291 0.89 L3MBTL1 (0.38) RAB9AADRA1BSIGMAR1ADRA1AKMT2A
SCHEMBL4875623 0.88 HTR2A (0.39) SIGMAR1ADRA1ASLC6A4KMT2ALMNA
SCHEMBL4866771 0.86 KMT2A (0.46) RAB9AADRA1BSIGMAR1ADRA1AKMT2A
SCHEMBL4873285 0.84 PARP1 (0.38) RAB9AKMT2ALMNASOAT2SOAT1
SCHEMBL4875539 0.83 ADAMTS5 (0.40) RAB9AADRA1BADRA1AKMT2AL3MBTL1
SCHEMBL4866744 0.82 HPGD (0.38) RAB9AKMT2A
SCHEMBL4874172 0.81 SLC6A4 (0.40) RAB9ANPC1ADRA1BSLC6A3SLC6A4
SCHEMBL4866652 0.81 MEN1 (0.41) RAB9ANPC1ADRA1BSIGMAR1KMT2A
SCHEMBL4876330 0.80 POLB (0.37) RAB9AKMT2AL3MBTL1SOAT2SOAT1
SCHEMBL4876222 0.80 CYP2D6 (0.48) RAB9A

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 RAB9A 3218/4885NPC1 1987/4885ADRA1B 69/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885NPC1 1483/4885ADRA1B 64/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885NPC1 1483/4885ADRA1B 64/4885

“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.