SCHEMBL22911087

SCHEMBL22911087

CCOc1cc(C(=O)N2CC3[C@H]4CN(C(=O)c5ccc6[nH]nnc6c5)C[C@H]4C3(O)C2)nc2cc(Cl)ccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.36
▸ ATXN2 Q99700 2/20 0.36
▸ CASP1 P29466 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NAMPT P43490 7/20 0.34
▸ PROKR1 Q8TCW9 4/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SMYD3 Q9H7B4 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ F10 P00742 1/20 0.32

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
SCHEMBL16759870 0.91 CASP1 (0.38) ENPP2ATXN2CASP1HSD17B10NAMPT
SCHEMBL22911090 0.91 CASP1 (0.38) ENPP2ATXN2CASP1HSD17B10NAMPT
SCHEMBL22911094 0.91 MGLL (0.38) NAMPTMGLLKMT2A
SCHEMBL22910584 0.85 KDM4E (0.38) ENPP2ATXN2CASP1HSD17B10PROKR1
SCHEMBL16759781 0.85 KDM4E (0.38) ENPP2ATXN2CASP1HSD17B10PROKR1
SCHEMBL22911144 0.84 MGLL (0.37) MGLLKMT2A
SCHEMBL22910813 0.83 PDK2 (0.36) ENPP2ATXN2MGLL
SCHEMBL22911089 0.83 HCRTR1 (0.34) MGLLKMT2A
SCHEMBL22911086 0.82 CNR2 (0.36) ATXN2MGLL
SCHEMBL16759787 0.81 PDE3B (0.42) NAMPTSMYD3

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 2448/4885ATXN2 1316/4885CASP1 1654/4885

“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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