SCHEMBL4873216

SCHEMBL4873216

CCN(CCCCN1CCNCCC1=O)C(C)Cc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
RAB9A P51151 1/20 0.37
USP2 O75604 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
AKR1C3 P42330 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL4875937 0.88 CYP3A4 (0.33) LMNATSHR
SCHEMBL4874468 0.84 TP53 (0.34) AKR1C3TP53LMNATSHRCCNA2
SCHEMBL4876477 0.84 MEN1 (0.33) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL4871434 0.84 ACACB (0.38) ACACBALDH1A1MEN1KMT2ALMNA
SCHEMBL4875193 0.83 CYP2D6 (0.33) ALDH1A1LMNATSHR
SCHEMBL4872746 0.83 KCNH2 (0.41) ALDH1A1
SCHEMBL4868909 0.82 GRIN1 (0.35) RAB9AALDH1A1LMNATSHR
SCHEMBL4874319 0.81 CYP3A4 (0.43) RAB9AALDH1A1LMNATSHR
SCHEMBL4871419 0.80 MEN1 (0.31) MEN1KMT2ALMNATSHR
SCHEMBL4876044 0.80 KMT2A (0.42) RAB9AALDH1A1MEN1KMT2ALMNA

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 ACACB 4744/4885RAB9A 3218/4885USP2 3824/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ACACB 4727/4885RAB9A 2725/4885USP2 4022/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ACACB 4727/4885RAB9A 2725/4885USP2 4022/4885

“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.