SCHEMBL885664

SCHEMBL885664

C=CCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCC[C@H]2O)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.38
SIGMAR1 Q99720 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HTR3A P46098 1/20 0.34
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
NPC1L1 Q9UHC9 1/20 0.33
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP19 O94966 3/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL886101 0.89 REN (0.38) SIGMAR1RXFP1HTR3APOLBNPC1L1
SCHEMBL2062489 0.87 RXFP1 (0.40) SLC18A3SIGMAR1RXFP1POLBNPC1L1
SCHEMBL886801 0.86 MAPK8 (0.39) SLC18A3SIGMAR1RXFP1NPC1L1TPSAB1
SCHEMBL8174764 0.86 SLC18A3 (0.39) SLC18A3SIGMAR1RXFP1NPC1L1TPSAB1
SCHEMBL886800 0.86 MAPK8 (0.39) SLC18A3SIGMAR1RXFP1NPC1L1TPSAB1
SCHEMBL2063063 0.86 MAPK8 (0.39) SLC18A3SIGMAR1RXFP1NPC1L1TPSAB1
SCHEMBL2062744 0.85 RXFP1 (0.36) SIGMAR1RXFP1POLBSMN1; SMN2USP19
SCHEMBL884540 0.81 SLC18A3 (0.39) SLC18A3SIGMAR1GAASMN1; SMN2
SCHEMBL2062792 0.81 SIGMAR1 (0.35) SIGMAR1
SCHEMBL884526 0.81 PARP1 (0.39) SIGMAR1TSHR

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 SLC18A3 2461/4885SIGMAR1 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.