SCHEMBL22491472

SCHEMBL22491472

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ SLC6A7 Q99884 1/20 0.38
▸ PTAFR P25105 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ TACR3 P29371 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36

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
SCHEMBL22773218 0.83 GRM5 (0.43) OPRM1OPRD1POLB
SCHEMBL22491483 0.82 DRD2 (0.45) OPRM1OPRD1DRD2DRD4HTR2A
SCHEMBL22491398 0.78 OPRD1 (0.50) OPRM1OPRD1HTR2CHTR2BKCNH2
SCHEMBL22491530 0.75 HTR1F (0.42) OPRM1OPRD1DRD2DRD4HTR2A
SCHEMBL22491496 0.74 FNTA (0.47) OPRM1OPRD1DRD2DRD4HTR2A
SCHEMBL22491521 0.73 FNTA (0.46) OPRD1FNTAFNTBPTAFRKDM4E
SCHEMBL21381837 0.71 LMNA (0.55) FNTAFNTBPOLBGAA
SCHEMBL3973933 0.70 CES1 (0.59) L3MBTL1
SCHEMBL3047748 0.68 CA12 (0.63) L3MBTL1SLC6A7KDM4EPOLB
SCHEMBL27152941 0.68 HSD11B1 (0.39) KDM4E

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
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
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP 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-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY OPRM1 549/4885OPRD1 1395/4885DRD2 1811/4885

“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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