SCHEMBL22911008

SCHEMBL22911008

O=C(COc1ccc(OC(F)(F)F)cc1)N1CC2C(C1)[C@@H]1CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.50
▸ DGAT2 Q96PD7 1/20 0.50
▸ ATXN2 Q99700 3/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.41
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ DRD3 P35462 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ HTR2B P41595 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPK7 Q13164 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 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
SCHEMBL16759847 1.00 ENPP2 (0.50) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL16962301 0.94 ENPP2 (0.56) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL21323007 0.94 ENPP2 (0.56) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL16962303 0.94 ENPP2 (0.56) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL17310935 0.89 ENPP2 (0.53) ENPP2DGAT2ATXN2HRH3HTR2B
SCHEMBL16963420 0.89 ENPP2 (0.53) ENPP2DGAT2ATXN2HRH3HTR2B
SCHEMBL17310934 0.89 ENPP2 (0.53) ENPP2DGAT2ATXN2HRH3HTR2B
SCHEMBL22911027 0.88 ENPP2 (0.56) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL16759797 0.88 ENPP2 (0.56) ENPP2DGAT2ATXN2HRH3MAPK8
SCHEMBL16963706 0.87 ENPP2 (0.50) ENPP2DGAT2ATXN2MAPK8MAPK10

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-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 — — 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-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ENPP2 2448/4885DGAT2 3760/4885ATXN2 1316/4885

“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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