SCHEMBL884435

SCHEMBL884435

O=C(c1[nH]c(=O)n(-c2ccc3c(c2)NCC3)c1-c1ccccc1)N1CCNC[C@H]1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
REN P00797 2/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A4 P31645 8/20 0.38
SLC6A3 Q01959 8/20 0.38
SLC6A2 P23975 7/20 0.38
DPP4 P27487 4/20 0.37
DPP7 Q9UHL4 2/20 0.37
ACHE P22303 1/20 0.35
NPY2R P49146 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL884434 1.00 CA1 (0.43) CA1CA2CA4CA9REN
SCHEMBL2063767 0.95 CA1 (0.42) CA1CA2CA4CA9REN
SCHEMBL2063769 0.95 CA1 (0.42) CA1CA2CA4CA9REN
SCHEMBL2063247 0.86 REN (0.53) CA1CA2CA4CA9REN
SCHEMBL2063245 0.86 REN (0.53) CA1CA2CA4CA9REN
SCHEMBL2063477 0.86 CA1 (0.42) CA1CA2CA4CA9REN
SCHEMBL2062864 0.84 REN (0.41) CA1CA2CA4CA9REN
SCHEMBL2062860 0.84 REN (0.41) CA1CA2CA4CA9REN
SCHEMBL2062376 0.84 CA1 (0.42) CA1CA2CA4CA9REN
SCHEMBL2062377 0.84 CA1 (0.42) 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 11 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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
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
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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
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.