SCHEMBL4871367

SCHEMBL4871367

CC(Cc1ccc2c(c1)OCO2)C(C)NCCCCN1CCCCC1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DPP7 Q9UHL4 1/20 0.43
TAAR1 Q96RJ0 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
EDNRB P24530 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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 0.84 HPGD (0.41) HPGDSMN1; SMN2DPP7RAB9AMEN1
SCHEMBL4872485 0.83 HPGD (0.35) HPGDSMN1; SMN2TAAR1SLC6A4SLC6A2
SCHEMBL4876049 0.81 KMT2A (0.47) HPGDSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4875416 0.80 MEN1 (0.44) HPGDSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4871357 0.78 HPGD (0.45) HPGDSMN1; SMN2DPP7TAAR1SLC6A4
SCHEMBL4876233 0.77 RAB9A (0.38) HPGDSMN1; SMN2CYP2D6RAB9AMEN1
SCHEMBL4875878 0.75 RAB9A (0.36) HPGDSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4873675 0.74 HTR2A (0.43) TAAR1KMT2AALDH1A1
SCHEMBL4870271 0.73 PARP1 (0.35) HPGDSMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL4864771 0.73 L3MBTL1 (0.40) GAARAB9AKMT2AUSP2

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 3854/4885DPP7 1567/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HPGD 1194/4885SMN1; SMN2 3754/4885DPP7 1549/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HPGD 1194/4885SMN1; SMN2 3754/4885DPP7 1549/4885

“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.