SCHEMBL22773265

SCHEMBL22773265

CC(C)(C)OC(=O)N1CCC(=C(c2ccc(F)cc2)c2cccc(F)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GRM5 P41594 3/20 0.41
▸ GRM1 Q13255 2/20 0.41
▸ S1PR2 O95136 1/20 0.40
▸ HTR1F P30939 1/20 0.40
▸ PTAFR P25105 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.37
▸ POLB P06746 1/20 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
SCHEMBL29734471 1.00 MEN1 (0.43) MEN1KMT2AGRM5GRM1S1PR2
SCHEMBL22773290 0.93 MEN1 (0.44) MEN1KMT2AGRM5GRM1PTAFR
SCHEMBL29734558 0.93 MEN1 (0.44) MEN1KMT2AGRM5GRM1PTAFR
SCHEMBL22491530 0.83 HTR1F (0.42) MEN1KMT2AHTR1FPTAFROPRM1
SCHEMBL22773207 0.81 GRM5 (0.42) MEN1KMT2AGRM5GRM1S1PR2
SCHEMBL22773218 0.79 GRM5 (0.43) MEN1KMT2AGRM5GRM1S1PR2
SCHEMBL3081021 0.78 POLB (0.51) MEN1KMT2AHDAC4CKS1BSKP1
SCHEMBL23528998 0.77 HTR1F (0.71) MEN1KMT2AS1PR2HTR1F
SCHEMBL22491434 0.76 FNTA (0.44) MEN1KMT2AHTR1FPTAFROPRM1
SCHEMBL31705318 0.76 KMT2A (0.47) MEN1KMT2AGRM5GRM1S1PR2

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 672/4885GRM5 3913/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MEN1 80/4885KMT2A 672/4885GRM5 3913/4885

“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