SCHEMBL29915417

SCHEMBL29915417

CCOP(=O)(Cc1cc(-c2cccc(C#N)c2)n(Cc2ccc(OC)cc2)n1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.43
SLC16A1 P53985 8/20 0.43
MCTS1 Q9ULC4 5/20 0.43
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PTGDR Q13258 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 2/20 0.38
USP2 O75604 2/20 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
SCHEMBL29915480 0.87 TP53 (0.44) SLC16A3SLC16A1MCTS1MAPTMAPK1
SCHEMBL22613692 0.87 SLC16A3 (0.47) SLC16A3SLC16A1MCTS1DYRK1ACLK4
SCHEMBL29915468 0.86 PTGDR (0.42) DYRK1ACLK4PTGDRALDH1A1KDM4E
SCHEMBL29915420 0.85 SLC16A3 (0.46) SLC16A3SLC16A1MCTS1MAPT
SCHEMBL29915303 0.85 NPC1 (0.42) SLC16A3SLC16A1MCTS1MAPTLMNA
SCHEMBL22613701 0.81 SLC16A3 (0.48) SLC16A3SLC16A1MCTS1DYRK1ACLK4
SCHEMBL29915357 0.81 SLC16A3 (0.46) SLC16A3SLC16A1MCTS1
SCHEMBL29915313 0.80 MAPT (0.40) SLC16A3SLC16A1MCTS1SMN1; SMN2MEN1
SCHEMBL22613715 0.78 FAAH (0.51) SLC16A3SLC16A1MCTS1DYRK1ACLK4
SCHEMBL20600251 0.75 PTGDR (0.44) DYRK1ACLK4PTGDRALDH1A1KDM4E

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-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 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-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 SLC16A3 1146/4885SLC16A1 778/4885MCTS1 4563/4885

“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.