SCHEMBL4863314

SCHEMBL4863314

CC(C)N(CCCCN1CCCCCC1=O)C(C)Cc1ccc2c(c1)[SH]CO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SOAT2 O75908 1/20 0.31
SOAT1 P35610 1/20 0.31
EDNRB P24530 1/20 0.30
ADRA1B P35368 2/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL4872409 0.84 SMN1; SMN2 (0.39) KMT2AMEN1SMN1; SMN2HPGDRAB9A
SCHEMBL4863305 0.82 KMT2A (0.34) KMT2AMEN1SMN1; SMN2HPGDRAB9A
SCHEMBL4874375 0.81 MEN1 (0.33) KMT2AMEN1SMN1; SMN2HPGDRAB9A
SCHEMBL4873850 0.77 KMT2A (0.38) KMT2AMEN1HPGDRAB9AL3MBTL1
SCHEMBL4866715 0.76 KMT2A (0.39) KMT2AMEN1HPGDRAB9AL3MBTL1
SCHEMBL4864679 0.75 KDM4E (0.34) KMT2AMEN1SMN1; SMN2HPGDRAB9A
SCHEMBL4870508 0.75 HTR2A (0.40) KMT2AMEN1SMN1; SMN2ADRA1A
SCHEMBL4872663 0.74 RAB9A (0.34) KMT2AMEN1RAB9AL3MBTL1SOAT2
SCHEMBL4871357 0.72 HPGD (0.45) SMN1; SMN2HPGDL3MBTL1EDNRB
SCHEMBL4866744 0.72 HPGD (0.38) KMT2AMEN1SMN1; SMN2HPGDRAB9A

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 KMT2A 1941/4885MEN1 1954/4885SMN1; SMN2 3854/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885SMN1; SMN2 3754/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885SMN1; 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.