SCHEMBL885879

SCHEMBL885879

O=C(O)c1[nH]c(=O)n(C2CCCN(C(=O)OCc3ccccc3)C2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
CYP2C19 P33261 1/20 0.43
GRIN2B Q13224 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PDE4B Q07343 1/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL885569 0.91 JAK2 (0.42) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL885480 0.90 JAK2 (0.41) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL885647 0.90 DRD2 (0.42) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL2063126 0.86 MEN1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL885834 0.76 MEN1 (0.46) SMN1; SMN2CYP2C19DRD2DRD4DRD3
SCHEMBL3495283 0.76 JAK2 (0.47) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL29138124 0.76 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL4512387 0.75 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AJAK2JAK1
SCHEMBL22716847 0.75 CHRM1 (0.63) SMN1; SMN2NPC1RAB9ADRD2HTR1A
SCHEMBL4787409 0.74 HTR2A (0.39) JAK2JAK1JAK3CYP2C19DRD2

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
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-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 SMN1; SMN2 4547/4885NPC1 1955/4885RAB9A 559/4885

“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.