SCHEMBL4866682

SCHEMBL4866682

CCC(NCCN1CCCCC1=O)C(C)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
CD274 Q9NZQ7 2/20 0.41
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
FFAR1 O14842 2/20 0.39
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38

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
SCHEMBL4875389 0.81 MTNR1A (0.44) HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL4870303 0.79 RAB9A (0.40) LMNASOAT2SOAT1L3MBTL1
SCHEMBL4875126 0.79 DPP7 (0.39) LMNAL3MBTL1TSHRALDH1A1ACHE
SCHEMBL4871587 0.79 RAB9A (0.44) LMNASOAT2SOAT1ALDH1A1
SCHEMBL4866667 0.77 LMNA (0.45) LMNACD274HCRTR1HCRTR2FFAR1
SCHEMBL4875631 0.76 SIGMAR1 (0.42) LMNASOAT2SOAT1TSHRKDM4E
SCHEMBL17048467 0.74 L3MBTL1 (0.67) LMNAHCRTR1HCRTR2FFAR1L3MBTL1
SCHEMBL8269584 0.73 L3MBTL1 (0.69) LMNAHCRTR1HCRTR2FFAR1L3MBTL1
SCHEMBL4875549 0.73 RAB9A (0.41) LMNASOAT2SOAT1TSHRKDM4E
SCHEMBL4866751 0.72 HPGD (0.41)

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 LMNA 3315/4885MME 935/4885ACE 2297/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885MME 968/4885ACE 1969/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885MME 968/4885ACE 1969/4885

“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.