SCHEMBL10224835

SCHEMBL10224835

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.35
CHRM1 P11229 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HPGDS O60760 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HPGD P15428 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 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
SCHEMBL884196 0.92 CHRM1 (0.36) PLD2CHRM1SIGMAR1SLC6A2SLC6A4
SCHEMBL884492 0.88 SLC6A2 (0.35) CHRM1SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL884540 0.88 SLC18A3 (0.39) PLD2CHRM1SIGMAR1SLC6A2SLC6A4
SCHEMBL884485 0.83 SLC18A3 (0.38) PLD2SIGMAR1SLC6A2SLC6A4CCNC
SCHEMBL884418 0.83 SLC18A3 (0.38) PLD2SIGMAR1SLC6A2SLC6A4CCNC
SCHEMBL886061 0.83 PLD2 (0.37) PLD2CHRM1SIGMAR1SLC6A2SLC6A4
SCHEMBL884552 0.82 ALDH1A1 (0.33) CDK8ALDH1A1MAPTKMT2AGAA
SCHEMBL2062777 0.79 MEN1 (0.34) ALDH1A1MAPTKMT2AHPGDMEN1
SCHEMBL884768 0.79 SLC6A2 (0.38) PLD2CHRM1SIGMAR1SLC6A2SLC6A4
SCHEMBL884399 0.78 GAA (0.35) KDM4EALDH1A1MAPTKMT2AGAA

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 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

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 PLD2 3347/4885CHRM1 3831/4885SIGMAR1 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.