SCHEMBL4875490

SCHEMBL4875490

CC(C)N(CCCCN1CCNCCC1=O)C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
MLNR O43193 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NR3C1 P04150 7/20 0.31
MAOB P27338 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4876477 0.87 MEN1 (0.33) MEN1KMT2ANPC1MLNRTP53
SCHEMBL4868912 0.87 MEN1 (0.33) MEN1KMT2ANPC1MLNRTP53
SCHEMBL4876485 0.78 MEN1 (0.36) MEN1KMT2ANPC1MLNRTP53
SCHEMBL4870520 0.78 TP53 (0.32) TP53TSHRSIGMAR1KCNH2
SCHEMBL4868919 0.76 TRPV1 (0.34) MEN1KMT2ANPC1MLNRTP53
SCHEMBL4863334 0.76
SCHEMBL4875937 0.75 CYP3A4 (0.33) TSHRKCNH2
SCHEMBL4875193 0.75 CYP2D6 (0.33) TSHRKCNH2ALDH1A1
SCHEMBL4875410 0.75 MEN1 (0.41) MEN1KMT2ANPC1TP53TSHR
SCHEMBL4873705 0.74 RAB9A (0.31)

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 MEN1 1954/4885KMT2A 1941/4885NPC1 1987/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885KMT2A 2014/4885NPC1 1483/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885KMT2A 2014/4885NPC1 1483/4885

“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.