SCHEMBL886101

SCHEMBL886101

C=CCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCCC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.38
SIGMAR1 Q99720 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR3A P46098 1/20 0.35
OPRM1 P35372 4/20 0.35
OPRL1 P41146 4/20 0.35
OGFRL1 Q5TC84 2/20 0.35
MAPK1 P28482 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL885664 0.89 SLC18A3 (0.38) SIGMAR1RXFP1POLBNPC1L1HTR3A
SCHEMBL2062792 0.89 SIGMAR1 (0.35) RENSIGMAR1ALDH1A1MAPK1
SCHEMBL884267 0.87 LMNA (0.35) RENSIGMAR1POLBALDH1A1
SCHEMBL885827 0.86 SMN1; SMN2 (0.38) ALDH1A1MAPK1
SCHEMBL885857 0.85 ENPP2 (0.43) RENSIGMAR1NPC1L1ALDH1A1OPRM1
SCHEMBL885905 0.85 CACNA1G (0.41) RENSIGMAR1KDM4EALDH1A1HTR3A
SCHEMBL885575 0.83 CA1 (0.43) RENALDH1A1
SCHEMBL885574 0.83 CA1 (0.43) RENALDH1A1
SCHEMBL2062744 0.83 RXFP1 (0.36) SIGMAR1RXFP1POLBALDH1A1
SCHEMBL2062362 0.82 REN (0.42) RENSIGMAR1KDM4EPOLBALDH1A1

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 11 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-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
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 REN 1/4885SIGMAR1 4008/4885RXFP1 930/4885

“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.