SCHEMBL884196

SCHEMBL884196

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.36
PLD2 O14939 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM5 P08912 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
HPGDS O60760 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 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
SCHEMBL884492 0.95 SLC6A2 (0.35) CHRM1KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL10224835 0.92 PLD2 (0.35) CHRM1PLD2KDM4ESIGMAR1ALDH1A1
SCHEMBL884552 0.90 ALDH1A1 (0.33) ALDH1A1CDK8GAAMAPTKMT2A
SCHEMBL2062777 0.87 MEN1 (0.34) ALDH1A1MAPTKMT2A
SCHEMBL884540 0.86 SLC18A3 (0.39) CHRM1PLD2SIGMAR1ALDH1A1SLC6A2
SCHEMBL884399 0.85 GAA (0.35) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL2062353 0.85 OPRL1 (0.36) KDM4EALDH1A1CDK8OPRM1
SCHEMBL2062406 0.85 OPRL1 (0.36) KDM4EALDH1A1CDK8OPRM1
SCHEMBL2062649 0.85 USP19 (0.32) ALDH1A1OPRM1
SCHEMBL2062744 0.84 RXFP1 (0.36) SIGMAR1ALDH1A1CDK8KMT2A

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 7 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-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
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 CHRM1 3831/4885PLD2 3347/4885KDM4E 2733/4885

“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.