SCHEMBL514299

SCHEMBL514299

O=C(OCc1ccccc1)N1CCCC(n2ccc3c(Cl)ncnc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.46
GRIN2B Q13224 8/20 0.45
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 3/20 0.44
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA1 P30542 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL30588458 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL26113929 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL303924 0.80 GRIN2B (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1940586 0.78 SLC22A12 (0.41) MEN1
SCHEMBL16492419 0.78 EGFR (0.39) JAK2JAK1JAK3
SCHEMBL12596440 0.77 GPR119 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL515346 0.77 GPR119 (0.71)
SCHEMBL515111 0.76 GPR119 (0.57) CYP2C9CYP3A4
SCHEMBL1442019 0.75 SLC22A12 (0.40) MEN1
SCHEMBL14528428 0.74 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 SMN1; SMN2 2685/4885NPC1 1261/4885RAB9A 919/4885

“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.