SCHEMBL3339987

SCHEMBL3339987

COc1cc(N)c(CCO)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CYP19A1 P11511 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 4/20 0.40
HTR2A P28223 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL7865943 0.90 L3MBTL1 (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL31469617 0.83 PDE4A (0.57) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL2892821 0.83 PDE4A (0.57) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL21798808 0.81 TAAR1 (0.52) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL7872541 0.79 CHEK1 (0.46) KDM4EGAAMAPTSMN1; SMN2TDP1
SCHEMBL28003043 0.78 NPC1 (0.56) CYP19A1GAASMN1; SMN2TAAR1HTR2A
SCHEMBL25143280 0.78 HMGCR (0.50) HMGCRPDE4APDE4BPDE4CPDE4D
SCHEMBL3342396 0.77 TAAR1 (0.53) HMGCRCYP19A1KDM4EGAAMAPT
SCHEMBL1398131 0.77 GAA (0.45) CYP19A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL25143222 0.76 MTNR1A (0.45) HMGCRPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 HMGCR 4729/4885PDE4A 517/4885PDE4B 785/4885

“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.