SCHEMBL22607355

SCHEMBL22607355

O=C(CCc1ccc(OC(F)(F)F)cc1Br)N1C[C@@H]2CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.49
▸ DGAT2 Q96PD7 1/20 0.49
▸ ATXN2 Q99700 9/20 0.45
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ LIPE Q05469 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL21323023 0.92 ENPP2 (0.51) ENPP2DGAT2ATXN2KCNK3KCNK9
SCHEMBL16963143 0.92 ENPP2 (0.51) ENPP2DGAT2ATXN2KCNK3KCNK9
SCHEMBL16963033 0.88 ENPP2 (0.57) ENPP2DGAT2ATXN2LIPEGHSR
SCHEMBL21323097 0.88 ENPP2 (0.57) ENPP2DGAT2ATXN2LIPEGHSR
SCHEMBL16963383 0.88 ENPP2 (0.57) ENPP2DGAT2ATXN2LIPEGHSR
SCHEMBL16963684 0.88 ENPP2 (0.57) ENPP2DGAT2ATXN2LIPEGHSR
SCHEMBL21323020 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL16962689 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL16962688 0.85 ENPP2 (0.49) ENPP2DGAT2ATXN2TLR9TLR8
SCHEMBL21323238 0.84 ENPP2 (0.48) ENPP2DGAT2ATXN2LIPEFPR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US 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-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB ENPP2 1716/4885DGAT2 3583/4885ATXN2 669/4885

“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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