SCHEMBL4873305

SCHEMBL4873305

CCC(CCCCN1CCCCC1=O)NC(C)Cc1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
LMNA P02545 1/20 0.39
GRIA2 P42262 1/20 0.38
OPRM1 P35372 3/20 0.36
NR3C1 P04150 1/20 0.36
RAB9A P51151 1/20 0.36
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
AR P10275 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
BRD4 O60885 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
SCHEMBL4866721 0.80 PARP1 (0.45) PARP1LMNARAB9ASOAT2SOAT1
SCHEMBL4873285 0.79 PARP1 (0.38) PARP1LMNAGRIA2OPRM1NR3C1
SCHEMBL4871334 0.79 KMT2A (0.40) LMNARAB9ASOAT2SOAT1KMT2A
SCHEMBL4870511 0.78 SOAT2 (0.42) LMNANR3C1SOAT2SOAT1KMT2A
SCHEMBL4876529 0.78 KMT2A (0.39) LMNARAB9ASOAT2SOAT1KMT2A
SCHEMBL4876185 0.77 ACKR3 (0.43) PARP1LMNAKMT2A
SCHEMBL4870307 0.77 SOAT2 (0.41) LMNASOAT2SOAT1KMT2A
SCHEMBL4872455 0.77 SOAT2 (0.39) LMNARAB9ASOAT2SOAT1KMT2A
SCHEMBL4870422 0.77 KMT2A (0.38) LMNARAB9ASOAT2SOAT1KMT2A
SCHEMBL4875855 0.77 KMT2A (0.38) LMNANR3C1RAB9ASOAT2SOAT1

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 PARP1 4430/4885LMNA 3315/4885GRIA2 677/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PARP1 4138/4885LMNA 3391/4885GRIA2 659/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PARP1 4138/4885LMNA 3391/4885GRIA2 659/4885

“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.