SCHEMBL4875389

SCHEMBL4875389

CCC(NCCN1CCCCC1=O)C(C)Cc1ccc2cc(OC)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
NQO2 P16083 1/20 0.39
PGK1 P00558 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 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
SCHEMBL4866682 0.81 LMNA (0.46) ALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL4875126 0.81 DPP7 (0.39) KMT2AALDH1A1RECQL
SCHEMBL4875374 0.76 MTNR1A (0.45) MTNR1AMTNR1BSMN1; SMN2KMT2AALDH1A1
SCHEMBL4870303 0.75 RAB9A (0.40) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL4871587 0.74 RAB9A (0.44) SMN1; SMN2KMT2AALDH1A1MEN1NPC1
SCHEMBL4875549 0.74 RAB9A (0.41) SMN1; SMN2KMT2AALDH1A1MEN1NPC1
SCHEMBL4866751 0.74 HPGD (0.41) SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4866775 0.74 KMT2A (0.49) SMN1; SMN2KMT2AMEN1ATMCYP1A2
SCHEMBL4872456 0.74 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AALDH1A1MEN1NPC1
SCHEMBL4874186 0.73 RAB9A (0.40) KMT2AMEN1

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 MTNR1A 134/4885MTNR1B 159/4885SMN1; SMN2 3854/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MTNR1A 80/4885MTNR1B 105/4885SMN1; SMN2 3754/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MTNR1A 80/4885MTNR1B 105/4885SMN1; SMN2 3754/4885

“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.