SCHEMBL22910869

SCHEMBL22910869

COc1cc(C(=O)N2CC3C(C2)[C@@H]2CN(C(=O)c4ccc5[nH]nnc5c4)C[C@H]32)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.47
▸ P2RY12 Q9H244 11/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL16759873 1.00 ALOX15 (0.47) ALOX15P2RY12MGLLROCK2HPGD
SCHEMBL22910576 0.90 MGLL (0.36) ALOX15P2RY12MGLLROCK2HPGD
SCHEMBL16759893 0.90 MGLL (0.36) ALOX15P2RY12MGLLROCK2HPGD
SCHEMBL16759905 0.90 MGLL (0.43) ALOX15P2RY12MGLLKMT2A
SCHEMBL22911093 0.90 MGLL (0.43) ALOX15P2RY12MGLLKMT2A
SCHEMBL22910814 0.90 P2RY12 (0.39) ALOX15P2RY12MGLLROCK2HPGD
SCHEMBL16759842 0.90 P2RY12 (0.39) ALOX15P2RY12MGLLROCK2HPGD
SCHEMBL16759841 0.89 ALDH1A1 (0.44) MGLLHPGD
SCHEMBL22910580 0.89 ALDH1A1 (0.44) MGLLHPGD
SCHEMBL16759723 0.88 ROCK2 (0.42) MGLLROCK2HPGDMEN1KMT2A

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 ALOX15 1905/4885P2RY12 2685/4885MGLL 3367/4885

“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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