SCHEMBL22491434

SCHEMBL22491434

O=C(O)N1CCC(=C(c2ccccc2)c2cccc(F)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.44
▸ FNTB P49356 2/20 0.44
▸ PTAFR P25105 1/20 0.44
▸ SETD7 Q8WTS6 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ OPRD1 P41143 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL22491530 0.92 HTR1F (0.42) FNTAFNTBPTAFRMEN1KMT2A
SCHEMBL29734558 0.84 MEN1 (0.44) PTAFRMEN1KMT2A
SCHEMBL22773290 0.84 MEN1 (0.44) PTAFRMEN1KMT2A
SCHEMBL22491502 0.78 OPRD1 (0.43) SETD7HTR2AHTR2CHTR2BOPRD1
SCHEMBL22491496 0.76 FNTA (0.47) FNTAFNTBPTAFRSETD7DRD2
SCHEMBL3075269 0.76 GNE (0.55) MEN1KMT2AIRAK4SMN1; SMN2USP2
SCHEMBL29734471 0.76 MEN1 (0.43) PTAFRMEN1KMT2AOPRD1OPRM1
SCHEMBL22773265 0.76 MEN1 (0.43) PTAFRMEN1KMT2AOPRD1OPRM1
SCHEMBL13272027 0.70 PTAFR (0.64) FNTAFNTBPTAFRSETD7MEN1
SCHEMBL16415854 0.70 KMT2A (0.53) MEN1KMT2ASMN1; SMN2CTSAALDH1A1

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 FNTA 2173/4885FNTB 1487/4885PTAFR 4511/4885

“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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