SCHEMBL4876949

SCHEMBL4876949

CCCN(CCCCN1CCCNC1=O)C(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD3 P35462 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
SLC6A2 P23975 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DAO P14920 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4875623 0.86 HTR2A (0.39) HTR2AHTR2BHTR2CSLC6A4SIGMAR1
SCHEMBL4870305 0.86 HTR2A (0.39) HTR2AHTR2BHTR2CSLC6A4SIGMAR1
SCHEMBL4870366 0.84 SLC6A4 (0.42) HTR2AHTR2BHTR2CSLC6A4SIGMAR1
SCHEMBL4875296 0.77 SMN1; SMN2 (0.42) SIGMAR1MAPTKDM4EALDH1A1CYP2C19
SCHEMBL4873607 0.75 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL4871569 0.74 RAB9A (0.41) SLC6A4SIGMAR1LMNAADRA1AKMT2A
SCHEMBL4870508 0.73 HTR2A (0.40) HTR2AHTR2BHTR2CSLC6A4SIGMAR1
SCHEMBL4874295 0.72 LMNA (0.40) HTR2AHTR2CSIGMAR1LMNAMAPT
SCHEMBL4870291 0.72 L3MBTL1 (0.38) SIGMAR1LMNAADRA1AKMT2A
SCHEMBL4871373 0.72 SLC6A4 (0.46) HTR2ASLC6A4SIGMAR1DRD3LMNA

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 HTR2A 238/4885HTR2B 310/4885HTR2C 212/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HTR2A 199/4885HTR2B 245/4885HTR2C 157/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HTR2A 199/4885HTR2B 245/4885HTR2C 157/4885

“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.