SCHEMBL885822

SCHEMBL885822

COCCn1c(C(=O)N2CCNCC2Cc2ccccc2)c(-c2ccccc2)n(C2CCCCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
REN P00797 2/20 0.41
DPP4 P27487 3/20 0.36
MC4R P32245 2/20 0.35
MC3R P41968 2/20 0.35
MC1R Q01726 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
CYP3A4 P08684 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ADORA2B P29275 1/20 0.34
ROCK2 O75116 1/20 0.34
SCD5 Q86SK9 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL885821 1.00 CA1 (0.42) CA1CA2CA4CA9REN
SCHEMBL2063406 0.88 CA1 (0.46) CA1CA2CA4CA9REN
SCHEMBL884158 0.88 CA1 (0.46) CA1CA2CA4CA9REN
SCHEMBL885533 0.88 CA1 (0.46) CA1CA2CA4CA9REN
SCHEMBL885532 0.88 CA1 (0.46) CA1CA2CA4CA9REN
SCHEMBL885574 0.85 CA1 (0.43) CA1CA2CA4CA9REN
SCHEMBL885575 0.85 CA1 (0.43) CA1CA2CA4CA9REN
SCHEMBL884424 0.77 CA1 (0.48) CA1CA2CA4CA9REN
SCHEMBL884425 0.77 CA1 (0.48) CA1CA2CA4CA9REN
SCHEMBL8170843 0.76 REN (0.52) 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.