SCHEMBL22491496

SCHEMBL22491496

O=C(O)N1CCC(=C(c2ccccc2)c2ccc(F)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ 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
▸ SETD7 Q8WTS6 1/20 0.44
▸ OPRD1 P41143 8/20 0.41
▸ PTAFR P25105 1/20 0.41
▸ OPRK1 P41145 6/20 0.40
▸ SLC18A3 Q16572 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ OPRM1 P35372 6/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL22491483 0.92 DRD2 (0.45) FNTAFNTBDRD2DRD4HTR2A
SCHEMBL22491470 0.84 MEN1 (0.44) FNTAFNTBSETD7
SCHEMBL22491406 0.78 OPRD1 (0.49) DRD2DRD4HTR2AHTR2CHTR2B
SCHEMBL22491434 0.76 FNTA (0.44) FNTAFNTBDRD2DRD4HTR2A
SCHEMBL22773207 0.75 GRM5 (0.42) OPRD1OPRM1KCNH2
SCHEMBL22773257 0.75 SETD7 (0.53) FNTAFNTBHTR2AHTR2BSETD7
SCHEMBL22491472 0.74 OPRM1 (0.42) FNTAFNTBDRD2DRD4HTR2A
SCHEMBL22773331 0.73 SETD7 (0.50) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL22491530 0.72 HTR1F (0.42) FNTAFNTBDRD2DRD4HTR2A
SCHEMBL31350728 0.70 MYC (0.49) FNTAFNTBSETD7

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 1487/4885DRD2 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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