Sugi Predict

Sugi Predict / Compounds / SCHEMBL2062353

SCHEMBL2062353

SCHEMBL2062353

CCC(=O)N[C@H]1CCCCC1n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CC2CCCCC2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ MAPK8 P45983 3/20 0.36
▸ OPRK1 P41145 3/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ USP19 O94966 3/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 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
SCHEMBL2062406 1.00 OPRL1 (0.36) OPRL1OPRM1MAPK8OPRK1ALDH1A1
SCHEMBL2062744 0.88 RXFP1 (0.36) MAPK8ALDH1A1USP19CHEK1AURKA
SCHEMBL10224836 0.85 CHRM3 (0.36) MAPK8ALDH1A1DRD2DRD4DRD3
SCHEMBL884196 0.85 CHRM1 (0.36) OPRM1ALDH1A1KDM4ECDK8
SCHEMBL886801 0.84 MAPK8 (0.39) OPRL1OPRM1MAPK8OPRK1ALDH1A1
SCHEMBL2063063 0.84 MAPK8 (0.39) OPRL1OPRM1MAPK8OPRK1ALDH1A1
SCHEMBL886800 0.84 MAPK8 (0.39) OPRL1OPRM1MAPK8OPRK1ALDH1A1
SCHEMBL884552 0.84 ALDH1A1 (0.33) OPRM1MAPK8ALDH1A1USP19LMNA
SCHEMBL884511 0.84 SIGMAR1 (0.38) ALDH1A1LMNAKDM4E
SCHEMBL2062777 0.84 MEN1 (0.34) ALDH1A1

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 9 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-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 OPRL1 1285/4885OPRM1 1874/4885MAPK8 1297/4885

“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.