SCHEMBL885686

SCHEMBL885686

CCS(=O)(=O)Nc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2Cc2ccccc2)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA4 P22748 6/20 0.46
CA9 Q16790 6/20 0.46
REN P00797 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP3A4 P08684 1/20 0.38
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 2/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SMYD3 Q9H7B4 1/20 0.33
TSHR P16473 1/20 0.32
MAPK10 P53779 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
SCHEMBL885685 1.00 CA1 (0.46) CA1CA2CA4CA9REN
SCHEMBL885474 0.95 CA1 (0.44) CA1CA2CA4CA9REN
SCHEMBL885473 0.95 CA1 (0.44) CA1CA2CA4CA9REN
SCHEMBL885478 0.93 CA1 (0.43) CA1CA2CA4CA9REN
SCHEMBL885479 0.93 CA1 (0.43) CA1CA2CA4CA9REN
SCHEMBL885868 0.93 CA1 (0.47) CA1CA2CA4CA9REN
SCHEMBL885869 0.93 CA1 (0.47) CA1CA2CA4CA9REN
SCHEMBL885911 0.91 CA1 (0.44) CA1CA2CA4CA9REN
SCHEMBL885910 0.91 CA1 (0.44) CA1CA2CA4CA9REN
SCHEMBL885729 0.91 CA1 (0.48) CA1CA2CA4CA9REN

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT CA1 1965/4885CA2 361/4885CA4 514/4885

“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.