SCHEMBL4875878

SCHEMBL4875878

CCC(NCCCCN1CCCCC1=O)C(C)Cc1ccc2c(c1)OCC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
SOAT2 O75908 1/20 0.31
SOAT1 P35610 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.30
RECQL P46063 1/20 0.30
HTT P42858 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
SCHEMBL4866751 0.85 HPGD (0.41) RAB9AKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4876233 0.82 RAB9A (0.38) RAB9AKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL4870303 0.79 RAB9A (0.40) RAB9AKMT2AMEN1SOAT2SOAT1
SCHEMBL4875549 0.79 RAB9A (0.41) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4871587 0.79 RAB9A (0.44) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4875866 0.79 RAB9A (0.33) RAB9AKMT2AMEN1MALT1SMN1; SMN2
SCHEMBL4874186 0.78 RAB9A (0.40) RAB9AKMT2AMEN1SOAT2SOAT1
SCHEMBL4866775 0.78 KMT2A (0.49) RAB9AKMT2AMEN1SMN1; SMN2USP2
SCHEMBL4866656 0.77 NPC1 (0.40) RAB9AKMT2AMEN1MALT1SMN1; SMN2
SCHEMBL4875631 0.77 SIGMAR1 (0.42) RAB9AKMT2ASMN1; SMN2SOAT2SOAT1

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 3218/4885KMT2A 1941/4885MEN1 1954/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885KMT2A 2014/4885MEN1 1892/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885KMT2A 2014/4885MEN1 1892/4885

“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.