SCHEMBL886729

SCHEMBL886729

O=C(O)N1CCN(C(=O)c2[nH]c(=O)n(-c3ccccc3)c2-c2ccccc2)C(CO)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.37
SLC6A7 Q99884 2/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 5/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA4 P22748 7/20 0.33
CA9 Q16790 7/20 0.33
CYP1A2 P05177 3/20 0.33
USP2 O75604 3/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 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
SCHEMBL886348 0.90 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL8164934 0.87 USP30 (0.40)
SCHEMBL2062615 0.82 REN (0.42) ALDH1A1HSD17B10CA1CA2CA4
SCHEMBL2063853 0.81 ALDH1A1 (0.42) SLC6A7ALDH1A1HSD17B10HPGDLMNA
SCHEMBL8171278 0.78 NR1H2 (0.49) CA1CA2CA4CA9
SCHEMBL3492063 0.78 ALDH1A1 (0.41) TACR1ALDH1A1HPGDLMNATSHR
SCHEMBL2063138 0.76 SIGMAR1 (0.49) ALDH1A1HSD17B10HPGDLMNAMEN1
SCHEMBL2063245 0.75 REN (0.53) CA1CA2CA4CA9CYP2D6
SCHEMBL2063247 0.75 REN (0.53) CA1CA2CA4CA9CYP2D6
SCHEMBL885673 0.74 ALOX5 (0.43) SLC6A7ALDH1A1HSD17B10HPGDLMNA

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
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 TACR1 397/4885SLC6A7 498/4885ALDH1A1 947/4885

“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.