SCHEMBL22491483

SCHEMBL22491483

O=C(O)N1CCC(=C(c2ccc(F)cc2)c2ccc(F)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ OPRD1 P41143 3/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ PRKAA2 P54646 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ P4HTM Q9NXG6 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
SCHEMBL22491496 0.92 FNTA (0.47) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL22773207 0.82 GRM5 (0.42) OPRD1OPRM1KCNH2GRM5
SCHEMBL22491472 0.82 OPRM1 (0.42) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL22491530 0.77 HTR1F (0.42) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL22491470 0.77 MEN1 (0.44) FNTAFNTBGRM5
SCHEMBL22491486 0.76 OPRD1 (0.52) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL22491406 0.70 OPRD1 (0.49) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL27152941 0.70 HSD11B1 (0.39) —
SCHEMBL22491434 0.68 FNTA (0.44) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL5046191 0.68 NPC1 (0.66) P4HTM

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 DRD2 1811/4885DRD4 1290/4885HTR2A 1344/4885

“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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