SCHEMBL3303296

SCHEMBL3303296

CCC1[C@@H]2CC[C@H](Sc3ccccc3C#N)C[C@@H]2C[C@@H](C(=O)O)N1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.35
MAPT P10636 3/20 0.33
FFAR2 O15552 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GBA1 P04062 1/20 0.32
HPGD P15428 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIA2 P42262 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSS P25774 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL3391565 0.79 GRIK1 (0.38) HCRTR2MAPTFFAR2GRIK1GRIA2
SCHEMBL3302737 0.77 ALDH1A1 (0.33) HCRTR2MAPTNPSR1GRIK1GRIA2
SCHEMBL3303849 0.76 GPR119 (0.35) HCRTR2FFAR2
SCHEMBL3302444 0.76 GRIK1 (0.40) MAPTNPSR1GRIK1GRIA2TDP1
SCHEMBL3305703 0.72 CYP3A4 (0.39) HCRTR2MAPT
SCHEMBL3304466 0.72 CYP3A4 (0.39) HCRTR2MAPT
SCHEMBL6328315 0.71 HCRTR2 (0.32) HCRTR2MAPT
SCHEMBL6328311 0.70 NR1H2 (0.34) HCRTR2
SCHEMBL3306973 0.69 GRIK1 (0.36) MAPTHTTHPGDGRIK1GRIA2
SCHEMBL6608199 0.69 HCRTR2 (0.31) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS MARTINEZ-PEREZ JOSE ANTONIO 2010-04-15 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-20100094014-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS SLC1A2, SLC1A1, GRIN1 HCRTR2 154/4885MAPT 631/4885FFAR2 158/4885

“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.