SCHEMBL884540

SCHEMBL884540

O=C(NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCC[C@H]2O)c1=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
PLD2 O14939 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CHRM1 P11229 2/20 0.36
HPGD P15428 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2C P28335 1/20 0.35
PDE10A Q9Y233 2/20 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
SCHEMBL884418 0.95 SLC18A3 (0.38) SLC18A3SIGMAR1PLD2SLC6A2SLC6A4
SCHEMBL884485 0.95 SLC18A3 (0.38) SLC18A3SIGMAR1PLD2SLC6A2SLC6A4
SCHEMBL10224835 0.88 PLD2 (0.35) SIGMAR1PLD2SLC6A2SLC6A4CCNC
SCHEMBL884586 0.87 USP19 (0.34) SLC18A3SIGMAR1HPGDALDH1A1
SCHEMBL885527 0.87 USP19 (0.34) SLC18A3SIGMAR1HPGDALDH1A1
SCHEMBL884196 0.86 CHRM1 (0.36) SIGMAR1PLD2SLC6A2SLC6A4CCNC
SCHEMBL8174764 0.86 SLC18A3 (0.39) SLC18A3SIGMAR1SMN1; SMN2
SCHEMBL884589 0.85 ALOX15 (0.36) SLC18A3SIGMAR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2062489 0.83 RXFP1 (0.40) SLC18A3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL886061 0.83 PLD2 (0.37) SIGMAR1PLD2SLC6A2SLC6A4CCNC

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 4008/4885PLD2 3347/4885

“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.