SCHEMBL4873890

SCHEMBL4873890

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(S(C)(=O)=O)c(NC(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
HPGD P15428 3/20 0.46
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 9/20 0.39
MAPT P10636 7/20 0.39
LMNA P02545 6/20 0.39
TSHR P16473 3/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 4/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 2/20 0.38
RECQL P46063 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.37
PTBP1 P26599 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6094192 0.78 RAB9A (0.35) SMN1; SMN2HPGDALDH1A1USP2MAPK1
SCHEMBL6094196 0.78 RAB9A (0.34) ALDH1A1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4866744 0.78 HPGD (0.38) SMN1; SMN2HPGDRAB9AMEN1KMT2A
SCHEMBL4871357 0.77 HPGD (0.45) SMN1; SMN2HPGDALDH1A1MAPTL3MBTL1
SCHEMBL4866709 0.75 PARP1 (0.43) SMN1; SMN2MAPTMAPK1NPC1RAB9A
SCHEMBL4866722 0.74 POLB (0.36) ALDH1A1TSHRRAB9AMEN1KMT2A
SCHEMBL4876330 0.73 POLB (0.37) HPGDALDH1A1TSHRRAB9AMEN1
SCHEMBL4876222 0.73 CYP2D6 (0.48) RAB9A
SCHEMBL4876175 0.73 ACKR3 (0.43) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL4875098 0.72 CYP2D6 (0.36) SMN1; SMN2ALDH1A1LMNATSHRRAB9A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SMN1; SMN2 3854/4885HPGD 1395/4885EPHX2 436/4885

“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.