SCHEMBL3204058

SCHEMBL3204058

COc1ccccc1CN1Cc2ccc(Cl)cc2N=C1N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.54
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GRIN2B Q13224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 1/20 0.38
TACR1 P25103 2/20 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
SCHEMBL3218802 0.91 CTSD (0.44) CTSDDRD2DRD1ALDH1A1KDM4E
SCHEMBL3209339 0.87 CTSD (0.57) CTSDDRD2DRD1ALDH1A1KDM4E
SCHEMBL4715614 0.86 CTSD (0.46) CTSDDRD2ALDH1A1KDM4ESLC6A2
SCHEMBL3215576 0.86 SIGMAR1 (0.44) CTSDALDH1A1KDM4EGRIN2BMAPT
Hydrochloric Acid SCHEMBL3217024 0.85 CTSD (0.45) CTSDDRD2ALDH1A1KDM4ESLC6A2
Hydrochloric Acid SCHEMBL3210300 0.84 SIGMAR1 (0.43) CTSDALDH1A1KDM4EGRIN2BKCNH2
SCHEMBL4717943 0.84 CTSD (0.50) CTSDALDH1A1KDM4EGRIN2BSMN1; SMN2
Hydrochloric Acid SCHEMBL3219821 0.83 CTSD (0.49) CTSDALDH1A1KDM4EGRIN2BSMN1; SMN2
SCHEMBL3217202 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2NPSR1MAPTTACR1
SCHEMBL3216946 0.81 GRIN2B (0.48) CTSDALDH1A1KDM4EGRIN2BMAPT

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 3627/4885DRD2 127/4885DRD1 207/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C CTSD 3627/4885DRD2 127/4885DRD1 207/4885

“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.