SCHEMBL3216946

SCHEMBL3216946

COc1ccc2c(c1)CN(Cc1ccccc1OC)C(N)=N2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.48
KDM4E B2RXH2 4/20 0.42
BACE1 P56817 2/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
TSHR P16473 1/20 0.40
CTSD P07339 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPBWR1 P48145 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL3215576 0.87 SIGMAR1 (0.44) GRIN2BKDM4ETSHRCTSDALDH1A1
SCHEMBL3217277 0.86 KDM4E (0.53) GRIN2BKDM4ETSHRALDH1A1GAA
Hydrochloric Acid SCHEMBL3210300 0.85 SIGMAR1 (0.43) GRIN2BKDM4ETSHRCTSDALDH1A1
SCHEMBL3204058 0.81 CTSD (0.54) GRIN2BKDM4ECTSDALDH1A1MAPT
SCHEMBL4717943 0.78 CTSD (0.50) GRIN2BKDM4ETSHRCTSDALDH1A1
SCHEMBL4718285 0.78 CA2 (0.45) KDM4EBACE1CTSDALDH1A1HPGD
Hydrochloric Acid SCHEMBL3219821 0.77 CTSD (0.49) GRIN2BKDM4ETSHRCTSDALDH1A1
Hydrochloric Acid SCHEMBL3212426 0.77 CA2 (0.45) KDM4EBACE1CTSDALDH1A1HPGD
SCHEMBL3217202 0.76 MAPT (0.46) BACE1ALDH1A1GAAHPGDHTT
SCHEMBL4715614 0.76 CTSD (0.46) KDM4ECTSDALDH1A1MAPT

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
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C GRIN2B 136/4885KDM4E 3028/4885BACE1 280/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C GRIN2B 136/4885KDM4E 3028/4885BACE1 280/4885

“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.