SCHEMBL18082353

SCHEMBL18082353

N#Cc1ccc2[nH]c(C(=O)N3C[C@@H]4[C@H]5CN(C(=O)c6ccc7[nH]nnc7c6)C[C@H]5[C@@H]4C3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.43
▸ ATXN2 Q99700 1/20 0.43
▸ CFD P00746 4/20 0.40
▸ HRH4 Q9H3N8 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ FASN P49327 7/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PYGL P06737 1/20 0.38
▸ PYGM P11217 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
SCHEMBL22910558 1.00 ENPP2 (0.43) ENPP2ATXN2CFDHRH4HRH3
SCHEMBL22911045 0.90 ALDH1A1 (0.40) FASNALDH1A1
SCHEMBL18082351 0.90 ALDH1A1 (0.40) FASNALDH1A1
SCHEMBL22910559 0.90 ENPP2 (0.41) ENPP2ATXN2CFDHRH4HRH3
SCHEMBL16759850 0.88 ABCB1 (0.37) ENPP2ATXN2CFDHRH4HRH3
SCHEMBL22911069 0.85 ENPP2 (0.59) ENPP2ATXN2HRH4HRH3MEN1
SCHEMBL16759931 0.85 ENPP2 (0.59) ENPP2ATXN2HRH4HRH3MEN1
SCHEMBL16759852 0.85 AKR1C3 (0.52) ENPP2ATXN2HRH4HRH3POLB
SCHEMBL22910988 0.85 AKR1C3 (0.52) ENPP2ATXN2HRH4HRH3POLB
SCHEMBL16759867 0.80 AKR1C3 (0.44) ENPP2ATXN2HRH4HRH3MEN1

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
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 — — US disclosed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 — — US disclosed
US-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2016-09-15 — — 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 (2 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-20160264586-A1 OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ENPP2 2448/4885ATXN2 1316/4885CFD 2539/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 ENPP2 2566/4885ATXN2 1217/4885CFD 2545/4885

“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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