SCHEMBL2063063

SCHEMBL2063063

O=C(c1c(-c2ccccc2)n([C@H]2CCCC[C@H]2O)c(=O)n1CC1CCCCC1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
USP19 O94966 3/20 0.36
OPRM1 P35372 5/20 0.36
OPRL1 P41146 5/20 0.36
OPRK1 P41145 4/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ENPP2 Q13822 1/20 0.35
CNR1 P21554 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 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
SCHEMBL886801 1.00 MAPK8 (0.39) MAPK8SLC18A3SIGMAR1RXFP1USP19
SCHEMBL886800 1.00 MAPK8 (0.39) MAPK8SLC18A3SIGMAR1RXFP1USP19
SCHEMBL2062489 0.88 RXFP1 (0.40) SLC18A3SIGMAR1RXFP1ALDH1A1DRD2
SCHEMBL8174764 0.87 SLC18A3 (0.39) SLC18A3SIGMAR1RXFP1USP19NPC1L1
SCHEMBL885664 0.86 SLC18A3 (0.38) SLC18A3SIGMAR1RXFP1USP19CNR1
SCHEMBL2062406 0.84 OPRL1 (0.36) MAPK8USP19OPRM1OPRL1OPRK1
SCHEMBL2062353 0.84 OPRL1 (0.36) MAPK8USP19OPRM1OPRL1OPRK1
SCHEMBL884540 0.82 SLC18A3 (0.39) SLC18A3SIGMAR1ALDH1A1
SCHEMBL2063146 0.82 BRD4 (0.38) MAPK8SIGMAR1USP19OPRM1OPRL1
SCHEMBL884526 0.82 PARP1 (0.39) SIGMAR1ALDH1A1

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 MAPK8 1297/4885SLC18A3 2461/4885SIGMAR1 4008/4885

“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.