SCHEMBL4876233

SCHEMBL4876233

CCC(NCCCCN1CCCCC1=O)C(C)Cc1ccc2c(c1)CCO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
CYP2D6 P10635 1/20 0.38
CXCR3 P49682 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
FAAH O00519 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MCHR1 Q99705 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
ACACB O00763 1/20 0.35
CAPN1 P07384 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
SCHEMBL4866751 0.91 HPGD (0.41) RAB9ASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL4874186 0.82 RAB9A (0.40) RAB9AKMT2AMEN1
SCHEMBL4866775 0.82 KMT2A (0.49) RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4875878 0.82 RAB9A (0.36) RAB9ASMN1; SMN2HPGDKMT2AMEN1
SCHEMBL4870303 0.81 RAB9A (0.40) RAB9AKMT2AMEN1
SCHEMBL4875549 0.81 RAB9A (0.41) RAB9ASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4871587 0.81 RAB9A (0.44) RAB9ASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4870271 0.81 PARP1 (0.35) RAB9ACYP2D6SMN1; SMN2HPGDKMT2A
SCHEMBL4866656 0.79 NPC1 (0.40) RAB9ASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4875631 0.79 SIGMAR1 (0.42) RAB9ACYP2D6SMN1; SMN2KMT2A

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 9 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
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO 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 3218/4885CYP2D6 194/4885CXCR3 162/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885CYP2D6 129/4885CXCR3 169/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RAB9A 2725/4885CYP2D6 129/4885CXCR3 169/4885

“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.