SCHEMBL3209339

SCHEMBL3209339

COc1cccc(OC)c1CN1Cc2ccc(Cl)cc2N=C1N

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 0.57
ALDH1A1 P00352 2/20 0.37
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 3/20 0.34
DRD1 P21728 3/20 0.34
DPP4 P27487 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHFR P00374 1/20 0.34
CYP3A4 P08684 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL3200551 0.91 CTSD (0.47) CTSDALDH1A1ACHEKDM4EMAPT
SCHEMBL3204058 0.87 CTSD (0.54) CTSDALDH1A1KDM4EMAPTDRD2
SCHEMBL4719286 0.87 CTSD (0.43) CTSDALDH1A1KDM4ECYP3A4
SCHEMBL3198015 0.86 CTSD (0.42) CTSDALDH1A1KDM4EMAPT
SCHEMBL4715532 0.84 CTSD (0.48) CTSDALDH1A1KDM4EMAPTDRD2
SCHEMBL4714175 0.84 SIGMAR1 (0.44) CTSDALDH1A1KDM4EMAPT
SCHEMBL4718491 0.83 CTSD (0.40) CTSDDRD2ADRA2ADRD4
SCHEMBL4718254 0.81 CTSD (0.39) CTSDALDH1A1KDM4EMAPT
Acetic Acid SCHEMBL3207125 0.81 CTSD (0.39) CTSDACHEMAPT
SCHEMBL4716955 0.80 HCRTR1 (0.42) CTSDCYP3A4

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 CTSD 3627/4885ALDH1A1 1897/4885ACHE 441/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C CTSD 3627/4885ALDH1A1 1897/4885ACHE 441/4885

“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.