SCHEMBL22773311

SCHEMBL22773311

COc1cc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ GPR119 Q8TDV5 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ GRM5 P41594 4/20 0.41
▸ POLB P06746 1/20 0.40
▸ GRM1 Q13255 3/20 0.40
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.39

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
SCHEMBL29734635 1.00 MEN1 (0.42) MEN1KMT2AFNTAFNTBGPR119
SCHEMBL22491521 0.87 FNTA (0.46) FNTAFNTBKDM4EGRM5PROKR1
SCHEMBL24621774 0.84 KDM4E (0.53) MEN1KMT2AFNTAFNTBGPR119
SCHEMBL1472967 0.78 POLB (0.44) MEN1KMT2AGPR119KDM4EPKM
SCHEMBL1473097 0.78 MEN1 (0.49) MEN1KMT2AFNTAFNTBGPR119
SCHEMBL22773218 0.78 GRM5 (0.43) MEN1KMT2AGPR119GRM5POLB
SCHEMBL22491440 0.78 LMNA (0.50) MEN1KMT2AGPR119PKMPOLB
SCHEMBL29734416 0.78 LMNA (0.50) MEN1KMT2AGPR119PKMPOLB
SCHEMBL1473494 0.78 KDM4E (0.46) MEN1KMT2AFNTAFNTBGPR119
SCHEMBL1472697 0.77 GPR119 (0.47) MEN1KMT2AFNTAFNTBGPR119

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-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY MEN1 80/4885KMT2A 672/4885FNTA 2173/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MEN1 80/4885KMT2A 672/4885FNTA 2173/4885

“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.

Send feedback