SCHEMBL12844769

SCHEMBL12844769

O=C(O)c1cc2c([nH]1)CC(NCc1ccccc1)C2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.57
GRIN2B Q13224 6/20 0.47
RB1 P06400 2/20 0.44
HDAC1 Q13547 1/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
APOB P04114 1/20 0.40
MTTP P55157 1/20 0.40
DRD4 P21917 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MC4R P32245 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
SCHEMBL12777454 1.00 FYN (0.57) FYNGRIN2BRB1HDAC1DPP8
SCHEMBL8167674 0.80 DRD2 (0.36) FYNDRD2DRD3DRD4
SCHEMBL12777455 0.80 DRD2 (0.36) FYNDRD2DRD3DRD4
SCHEMBL1006392 0.76 CYP19A1 (0.41) GRIN2BSIGMAR1
SCHEMBL12777442 0.76 CYP19A1 (0.41) GRIN2BSIGMAR1
SCHEMBL8163957 0.76 FYN (0.32) FYN
SCHEMBL8168290 0.75 ALOX15 (0.37) DRD2DRD3DRD4
SCHEMBL12777452 0.75 ALOX15 (0.37) DRD2DRD3DRD4
SCHEMBL12777446 0.74 DAO (0.41) GRIN2BHCAR2DRD2DRD3DRD4
SCHEMBL8162461 0.74 DAO (0.41) GRIN2BHCAR2DRD2DRD3DRD4

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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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 (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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE FYN 280/4885GRIN2B 102/4885RB1 4123/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE FYN 280/4885GRIN2B 102/4885RB1 4123/4885

“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.