SCHEMBL4875549

SCHEMBL4875549

CCC(NCCCCN1CCCCC1=O)C(C)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4875126 0.93 DPP7 (0.39) RAB9AUSP2RECQLKMT2ALMNA
SCHEMBL4870303 0.90 RAB9A (0.40) RAB9AUSP2RECQLKMT2ALMNA
SCHEMBL4865436 0.90 RAB9A (0.41) RAB9AUSP2RECQLKMT2ALMNA
SCHEMBL4874186 0.89 RAB9A (0.40) RAB9AKMT2AMEN1SOAT2SOAT1
SCHEMBL4866775 0.88 KMT2A (0.49) RAB9AUSP2RECQLKMT2ALMNA
SCHEMBL4866656 0.88 NPC1 (0.40) RAB9AKMT2ALMNAMEN1SOAT2
SCHEMBL4871587 0.83 RAB9A (0.44) RAB9AKMT2ALMNAMEN1SOAT2
SCHEMBL4866751 0.82 HPGD (0.41) RAB9AKMT2AMEN1DPP7SMN1; SMN2
SCHEMBL4876233 0.81 RAB9A (0.38) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4875631 0.81 SIGMAR1 (0.42) RAB9AKMT2ALMNASOAT2SOAT1

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 RAB9A 3218/4885USP2 3824/4885RECQL 2916/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885USP2 4022/4885RECQL 2690/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885USP2 4022/4885RECQL 2690/4885

“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.