SCHEMBL885500

SCHEMBL885500

O=C(NC[C@@H]1CNCCN1C(=O)c1[nH]c(=O)n(C2CCCCC2)c1-c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 4/20 0.47
ADRB1 P08588 2/20 0.40
PLD2 O14939 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
CACNA1G O43497 1/20 0.36
HTR3A P46098 1/20 0.36
PLD1 Q13393 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
DPP7 Q9UHL4 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL885501 1.00 HCRTR1 (0.47) HCRTR1HCRTR2ADRB1PLD2CTSL
SCHEMBL8171649 0.92 HCRTR1 (0.38) HCRTR1HCRTR2ADRB1PLD2CTSL
SCHEMBL2062604 0.91 HCRTR1 (0.46) HCRTR1HCRTR2ADRB1PLD2CTSL
SCHEMBL2062602 0.91 HCRTR1 (0.46) HCRTR1HCRTR2ADRB1PLD2CTSL
SCHEMBL884424 0.85 CA1 (0.48) DPP4PLD1CA1CA2CA4
SCHEMBL884425 0.85 CA1 (0.48) DPP4PLD1CA1CA2CA4
Hydrochloric Acid SCHEMBL4281647 0.79 HCRTR1 (0.46) HCRTR1HCRTR2ADRB1CTSLCTSB
SCHEMBL2063353 0.77 SIGMAR1 (0.44) DRD2DRD4DRD3
SCHEMBL2062783 0.76 CA1 (0.47) HCRTR1HCRTR2DPP4CA1CA2
SCHEMBL3489911 0.76 CA1 (0.47) HCRTR1HCRTR2DPP4CA1CA2

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 10 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

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 HCRTR1 2599/4885HCRTR2 2689/4885ADRB1 62/4885

“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.