SCHEMBL4876993

SCHEMBL4876993

CCC(CCCCN1CCCCCC1=O)NC(C)Cc1ccc(OS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
P2RX7 Q99572 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ACACB O00763 4/20 0.35
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
AOC2 O75106 2/20 0.32
MMP3 P08254 1/20 0.32
MMP10 P09238 1/20 0.32

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
SCHEMBL4872680 0.91 KMT2A (0.37) KDM4EPOLBKMT2AMEN1SOAT2
SCHEMBL4873152 0.91 GAA (0.40) KDM4EPOLBKMT2AMEN1SOAT2
SCHEMBL4873603 0.90 CYP1A1 (0.38) KDM4EPOLBKMT2AMEN1SOAT2
SCHEMBL4870307 0.90 SOAT2 (0.41) KDM4EKMT2AMEN1SOAT2SOAT1
SCHEMBL6093684 0.88 P2RX7 (0.38) KDM4EPOLBP2RX7KMT2AMEN1
SCHEMBL4875904 0.86 SOAT2 (0.39) KDM4EPOLBKMT2AMEN1SOAT2
SCHEMBL4876282 0.85 POLB (0.48) POLBKMT2AMEN1SOAT2SOAT1
SCHEMBL4871334 0.85 KMT2A (0.40) KDM4EPOLBKMT2AMEN1ACACB
SCHEMBL4870422 0.85 KMT2A (0.38) KDM4EPOLBKMT2AMEN1ACACB
SCHEMBL4876529 0.84 KMT2A (0.39) KDM4EPOLBKMT2AMEN1ACACB

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 5 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
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP 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 (2 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 KDM4E 2261/4885POLB 4496/4885P2RX7 286/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KDM4E 2601/4885POLB 4520/4885P2RX7 282/4885

“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.