SCHEMBL22911010

SCHEMBL22911010

O=C(c1ccc2[nH]nnc2c1)N1C[C@@H]2C3CN(C(=O)c4ccc5c(c4)[nH]c4ccc(Cl)cc45)CC3(O)[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.39
▸ ATXN2 Q99700 10/20 0.39
▸ GPR183 P32249 5/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ABCC4 O15439 1/20 0.33
▸ C5 P01031 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ MAP2 P11137 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
SCHEMBL22911013 0.90 ENPP2 (0.40) ENPP2ATXN2PTGS2MEN1ABCC4
SCHEMBL16759925 0.90 ENPP2 (0.40) ENPP2ATXN2PTGS2MEN1ABCC4
SCHEMBL22911158 0.86 ENPP2 (0.38) ENPP2ATXN2GPR183CCNCCDK8
SCHEMBL22911068 0.86 ENPP2 (0.55) ENPP2ATXN2GPR183MEN1KMT2A
SCHEMBL22910877 0.81 GHSR (0.40) —
SCHEMBL22911171 0.80 MGLL (0.37) ENPP2ATXN2GPR183CCNCCDK8
SCHEMBL22911087 0.80 ENPP2 (0.36) ENPP2ATXN2KMT2A
SCHEMBL22911082 0.79 LMNA (0.34) ENPP2ATXN2MAPT
SCHEMBL22911064 0.79 PAX8 (0.41) —
SCHEMBL22910986 0.79 AKR1C3 (0.44) ENPP2ATXN2

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 1316/4885GPR183 996/4885

“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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