SCHEMBL4850385

SCHEMBL4850385

COc1cc(CO)ccc1OCc1nc(-c2ccccc2)cn1C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 18/20 0.52
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL4851940 0.81 ALDH1A1 (0.51) PDE10ANPC1RAB9A
SCHEMBL4852679 0.77 PDE10A (0.42) PDE10APOLB
SCHEMBL698056 0.75 NPC1 (0.63) NPC1POLBRAB9A
SCHEMBL31725848 0.75 NPC1 (0.63) NPC1POLBRAB9A
SCHEMBL259475 0.73 PDE10A (0.53) PDE10A
SCHEMBL12112554 0.73 TSHR (0.49) NPC1RAB9A
SCHEMBL4850465 0.72 PPARD (0.54) GAANPC1POLBRAB9A
SCHEMBL4847898 0.72 NPC1 (0.48) GAANPC1POLBRAB9A
SCHEMBL20635215 0.72 PDE10A (0.55) PDE10ANPC1RAB9A
SCHEMBL4038141 0.71 KDR (0.67) NPC1POLBRAB9A

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PDE10A 1262/4885GAA 1777/4885NPC1 822/4885

“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.