SCHEMBL16670561

SCHEMBL16670561

C=Cc1c(OCc2ccccc2)ccn(C2CCN(C(=O)O)CC2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.55
CCR8 P51685 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TEAD3 Q99594 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL5862299 0.84 MAPK14 (0.52) MAPK14SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16669951 0.84 MAPK14 (0.52) MAPK14SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16670343 0.75 MAPK14 (0.50) MAPK14ALDH1A1
SCHEMBL6507357 0.72 YAP1 (0.46) MAPK14SMN1; SMN2
SCHEMBL16669923 0.72 MAPK14 (0.46) MAPK14SMN1; SMN2
SCHEMBL4385439 0.71 MAPK14 (1.00) MAPK14SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5264974 0.70 SMN1; SMN2 (0.39) MAPK14SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16670179 0.69 DRD2 (0.37)
SCHEMBL16670034 0.68 GLA (0.45) SMN1; SMN2
SCHEMBL16812320 0.67 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
EP-3063139-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-09-07 EP disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
WO-2015064083-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 WO disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 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-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 MAPK14 333/4885CCR8 1328/4885SMN1; SMN2 3372/4885

“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.