SCHEMBL22773218

SCHEMBL22773218

CC(C)(C)OC(=O)N1CCC(=C(c2ccc(F)cc2)c2ccnc(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.43
▸ GRM1 Q13255 3/20 0.43
▸ S1PR2 O95136 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CDK9 P50750 3/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ JAK2 O60674 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
SCHEMBL22773207 0.85 GRM5 (0.42) GRM5GRM1S1PR2MEN1KMT2A
SCHEMBL22491472 0.83 OPRM1 (0.42) OPRM1OPRD1POLB
SCHEMBL29734471 0.79 MEN1 (0.43) GRM5GRM1S1PR2MEN1KMT2A
SCHEMBL22773265 0.79 MEN1 (0.43) GRM5GRM1S1PR2MEN1KMT2A
SCHEMBL29734635 0.78 MEN1 (0.42) GRM5GRM1MEN1KMT2APOLB
SCHEMBL22773311 0.78 MEN1 (0.42) GRM5GRM1MEN1KMT2APOLB
SCHEMBL22491470 0.77 MEN1 (0.44) GRM5MEN1KMT2AGPR119
SCHEMBL22491440 0.77 LMNA (0.50) MEN1KMT2APOLBGPR119
SCHEMBL29734416 0.77 LMNA (0.50) MEN1KMT2APOLBGPR119
SCHEMBL1473097 0.77 MEN1 (0.49) GRM5GRM1MEN1KMT2AGPR119

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 GRM5 3913/4885GRM1 3889/4885S1PR2 4406/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY GRM5 3913/4885GRM1 3889/4885S1PR2 4406/4885

“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.

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