SCHEMBL22491521

SCHEMBL22491521

COc1cc(C(=C2CCN(C(=O)O)CC2)c2ccccc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ SETD7 Q8WTS6 1/20 0.43
▸ PROKR1 Q8TCW9 3/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ PTAFR P25105 1/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ CTSA P10619 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ BCR P11274 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM5C P41229 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
SCHEMBL29734635 0.87 MEN1 (0.42) FNTAFNTBPROKR1KDM4EGRM5
SCHEMBL22773311 0.87 MEN1 (0.42) FNTAFNTBPROKR1KDM4EGRM5
SCHEMBL22491400 0.80 OPRD1 (0.46) SETD7PROKR1KCNK3KCNK9CTSA
SCHEMBL21381837 0.76 LMNA (0.55) FNTAFNTBALDH1A1CYP1A2
SCHEMBL6378445 0.73 KCNK3 (0.53) KCNK3KCNK9CTSAALDH1A1CYP1A2
SCHEMBL22491472 0.73 OPRM1 (0.42) FNTAFNTBPTAFROPRD1KDM4E
SCHEMBL23211976 0.73 POLB (0.50) ALDH1A1CYP1A2KDM4E
SCHEMBL21381712 0.73 PTAFR (0.55) FNTAFNTBPTAFRALDH1A1OPRD1
SCHEMBL22491504 0.72 SETD7 (0.47) FNTAFNTBSETD7ALDH1A1OPRD1
SCHEMBL22491409 0.72 SETD7 (0.50) FNTAFNTBSETD7PTAFROPRD1

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 1487/4885SETD7 1281/4885

“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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