SCHEMBL4866744

SCHEMBL4866744

CCCN(CCCCN1CCCCC1=O)C(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.38
EDNRB P24530 2/20 0.38
PARP1 P09874 1/20 0.37
RAB9A P51151 1/20 0.36
EDNRA P25101 1/20 0.35
CCR5 P51681 1/20 0.34
CAPN1 P07384 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
UGCG Q16739 4/20 0.33
HTR1A P08908 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL4876222 0.91 CYP2D6 (0.48) CYP2D6RAB9A
SCHEMBL6171443 0.89 CYP2D6 (0.36) HPGDSMN1; SMN2CYP2D6PARP1CCR5
SCHEMBL4870262 0.89 CYP2D6 (0.36) HPGDSMN1; SMN2CYP2D6PARP1CCR5
SCHEMBL4871357 0.88 HPGD (0.45) HPGDSMN1; SMN2CYP2D6EDNRBEDNRA
SCHEMBL4872409 0.87 SMN1; SMN2 (0.39) HPGDSMN1; SMN2CYP2D6EDNRBPARP1
SCHEMBL4875866 0.85 RAB9A (0.33) HPGDSMN1; SMN2CYP2D6EDNRBRAB9A
SCHEMBL4872343 0.85 RAB9A (0.33) HPGDSMN1; SMN2CYP2D6EDNRBRAB9A
SCHEMBL4866771 0.83 KMT2A (0.46) SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4872471 0.83 CYP2D6 (0.40) HPGDSMN1; SMN2CYP2D6PARP1CCR5
SCHEMBL4875539 0.82 ADAMTS5 (0.40) RAB9AKMT2A

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 HPGD 1395/4885SMN1; SMN2 3854/4885CYP2D6 194/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HPGD 1194/4885SMN1; SMN2 3754/4885CYP2D6 129/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HPGD 1194/4885SMN1; SMN2 3754/4885CYP2D6 129/4885

“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.