SCHEMBL885569

SCHEMBL885569

O=C(O)N1CCN(C(=O)c2[nH]c(=O)n(C3CCCN(C(=O)OCc4ccccc4)C3)c2-c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TMEM97 Q5BJF2 5/20 0.40
SIGMAR1 Q99720 5/20 0.40
HTR1A P08908 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA2C P18825 1/20 0.40
GRIN2B Q13224 1/20 0.40
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL885480 0.92 JAK2 (0.41) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL885879 0.91 SMN1; SMN2 (0.44) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL2063126 0.90 MEN1 (0.46) SMN1; SMN2NPC1RAB9AUSP30MEN1
SCHEMBL885647 0.87 DRD2 (0.42) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL4787409 0.85 HTR2A (0.39) JAK2JAK1JAK3TMEM97SIGMAR1
SCHEMBL885863 0.81 MAPK1 (0.44) SMN1; SMN2RAB9AHRH3CYP2C19DRD3
SCHEMBL2063401 0.79 GRIN2B (0.38) SMN1; SMN2NPC1RAB9ASIGMAR1GRIN2B
SCHEMBL2062636 0.78 BTK (0.44) USP30MEN1KMT2A
SCHEMBL885496 0.77 SIGMAR1 (0.39) TMEM97SIGMAR1DRD3DRD2DRD4
SCHEMBL8163754 0.73 OPRM1 (0.49) MEN1KMT2A

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
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-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

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 JAK2 2247/4885JAK1 2292/4885TYK2 4742/4885

“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.