SCHEMBL4874468

SCHEMBL4874468

CCN(CCCCN1CCNCCC1=O)C(C)Cc1ccc(N2CCCS2(=O)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
CDK2 P24941 2/20 0.32
CDK1 P06493 1/20 0.32
CYP3A4 P08684 2/20 0.31
PDE4A P27815 1/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL4873216 0.84 ACACB (0.39) TP53LMNACDK2TSHRAKR1C3
SCHEMBL4875937 0.83 CYP3A4 (0.33) LMNACYP3A4ADRB2HTR1AADRA2A
SCHEMBL4872746 0.81 KCNH2 (0.41) KCNH2
SCHEMBL4876477 0.81 MEN1 (0.33) TP53LMNACYP3A4ADRB2HTR1A
SCHEMBL4875193 0.81 CYP2D6 (0.33) LMNACYP3A4ADRB2HTR1AADRA2A
SCHEMBL4874475 0.80 TP53 (0.35) TP53LMNACDK2CDK1PDE4A
SCHEMBL4871434 0.79 ACACB (0.38) LMNACYP3A4ADRB2HTR1AADRA2A
SCHEMBL4868909 0.79 GRIN1 (0.35) LMNACYP3A4ADRB2HTR1AADRA2A
SCHEMBL4874319 0.78 CYP3A4 (0.43) LMNACYP3A4ADRB2HTR1AADRA2A
SCHEMBL4871419 0.78 MEN1 (0.31) LMNACYP3A4ADRB2HTR1AADRA2A

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 7 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
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 TP53 2501/4885LMNA 3315/4885CDK2 1404/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TP53 2540/4885LMNA 3391/4885CDK2 1399/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TP53 2540/4885LMNA 3391/4885CDK2 1399/4885

“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.