SCHEMBL4874172

SCHEMBL4874172

CCCN(CCCCN1CCCCC1=O)C(C)Cc1ccc(SC)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.40
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1B P35368 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 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) RAB9AKMT2AADRA1BLMNA
SCHEMBL4866652 0.86 MEN1 (0.41) RAB9ASOAT2SOAT1NPC1MEN1
SCHEMBL4876330 0.85 POLB (0.37) RAB9ASOAT2SOAT1MEN1KMT2A
SCHEMBL4866722 0.84 POLB (0.36) RAB9ASOAT2SOAT1MEN1KMT2A
SCHEMBL4871325 0.82 KMT2A (0.38) RAB9ASOAT2SOAT1MEN1KMT2A
SCHEMBL4870291 0.81 L3MBTL1 (0.38) RAB9ASOAT2SOAT1KMT2AADRA1B
SCHEMBL4871569 0.81 RAB9A (0.41) SLC6A4RAB9ASOAT2SOAT1NPC1
SCHEMBL4876523 0.81 KMT2A (0.38) RAB9ASOAT2SOAT1MEN1KMT2A
SCHEMBL4876222 0.81 CYP2D6 (0.48) RAB9A
SCHEMBL4874000 0.81 KMT2A (0.37) RAB9AMEN1KMT2A

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 SLC6A4 990/4885RAB9A 3218/4885RXFP1 103/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885RAB9A 2725/4885RXFP1 98/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885RAB9A 2725/4885RXFP1 98/4885

“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.