SCHEMBL2062604

SCHEMBL2062604

O=C(NCC1CNCCN1C(=O)c1[nH]c(=O)n([C@@H]2CCCC[C@H]2O)c1-c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
ADRB1 P08588 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
DPP4 P27487 2/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
PLD2 O14939 1/20 0.35
SLC18A3 Q16572 1/20 0.35
DPP7 Q9UHL4 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
NAMPT P43490 1/20 0.34
CCR2 P41597 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL2062602 1.00 HCRTR1 (0.46) HCRTR1HCRTR2ADRB1CTSLCTSB
SCHEMBL885500 0.91 HCRTR1 (0.47) HCRTR1HCRTR2ADRB1CTSLCTSB
SCHEMBL885501 0.91 HCRTR1 (0.47) HCRTR1HCRTR2ADRB1CTSLCTSB
SCHEMBL3489911 0.85 CA1 (0.47) HCRTR1HCRTR2DPP4SLC18A3DPP7
SCHEMBL2062782 0.85 CA1 (0.47) HCRTR1HCRTR2DPP4SLC18A3DPP7
SCHEMBL2062783 0.85 CA1 (0.47) HCRTR1HCRTR2DPP4SLC18A3DPP7
SCHEMBL8171649 0.83 HCRTR1 (0.38) HCRTR1HCRTR2ADRB1CTSLCTSB
SCHEMBL884424 0.76 CA1 (0.48) DPP4DPP7CA1CA2CA4
SCHEMBL884425 0.76 CA1 (0.48) DPP4DPP7CA1CA2CA4
Hydrochloric Acid SCHEMBL4281647 0.73 HCRTR1 (0.46) HCRTR1HCRTR2ADRB1CTSLCTSB

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 4 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
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

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.