SCHEMBL4875204

SCHEMBL4875204

CCC(NCCCCN1CCNCCC1=O)C(C)Cc1ccc(Oc2nccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
P2RX3 P56373 15/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SOAT2 O75908 1/20 0.31
SOAT1 P35610 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRM5 P08912 1/20 0.30

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
SCHEMBL4875081 0.85 NAMPT (0.34)
SCHEMBL4872456 0.84 SMN1; SMN2 (0.39) MEN1KMT2ASOAT2SOAT1
SCHEMBL4866737 0.84 KMT2A (0.35) MEN1KMT2ASOAT2SOAT1
SCHEMBL4873710 0.81 RAB9A (0.34) MEN1KMT2ASOAT2SOAT1
SCHEMBL4875196 0.81 HCRTR1 (0.36) HCRTR1HCRTR2P2RX3SLC6A2SLC6A4
SCHEMBL4868919 0.79 TRPV1 (0.34) MEN1KMT2A
SCHEMBL4872375 0.79 POLB (0.32) KMT2A
SCHEMBL4872658 0.79 NAMPT (0.33)
SCHEMBL4877168 0.78 SLC6A4 (0.39) SOAT2SOAT1SLC6A4
SCHEMBL4863352 0.77 POLB (0.31) KMT2A

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 6 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
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
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US 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 HCRTR1 163/4885HCRTR2 111/4885P2RX3 195/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HCRTR1 130/4885HCRTR2 109/4885P2RX3 189/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HCRTR1 130/4885HCRTR2 109/4885P2RX3 189/4885

“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.