SCHEMBL4873903

SCHEMBL4873903

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1cc(C(N)=O)c(S(C)(=O)=O)cc1C1(Cc2ccccc2)OC=C(C(=O)O)O1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.31
SOAT1 P35610 1/20 0.31
PDK2 Q15119 1/20 0.31

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) SOAT2SOAT1PDK2
SCHEMBL6094196 0.72 RAB9A (0.34) SOAT2SOAT1
SCHEMBL4866722 0.69 POLB (0.36) SOAT2SOAT1
SCHEMBL4873285 0.68 PARP1 (0.38) SOAT2SOAT1
SCHEMBL4876330 0.68 POLB (0.37) SOAT2SOAT1
SCHEMBL4870498 0.68 SOAT2 (0.41) SOAT2SOAT1
SCHEMBL4874000 0.66 KMT2A (0.37)
SCHEMBL4875888 0.66 L3MBTL1 (0.48) SOAT2SOAT1
SCHEMBL7091821 0.66 PLA2G2A (0.41) SOAT2SOAT1PDK2
SCHEMBL4873890 0.66 SMN1; SMN2 (0.46)

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 SOAT2 2253/4885SOAT1 2137/4885PDK2 3578/4885

“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.