SCHEMBL22910870

SCHEMBL22910870

O=C(c1cc(OCC2CC2)c2ccccc2c1)N1CC2C(C1)[C@@H]1CN(C(=O)c3ccc4[nH]nnc4c3)C[C@H]21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATXN2 Q99700 8/20 0.42
▸ MGLL Q99685 2/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ DCPS Q96C86 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ S1PR2 O95136 2/20 0.34

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
SCHEMBL16759835 1.00 ATXN2 (0.42) ATXN2MGLLRAB9ADCPSCHEK2
SCHEMBL22910868 0.91 ATXN2 (0.37) ATXN2MGLLRAB9ADCPSCHEK2
SCHEMBL22911145 0.90 MGLL (0.42) MGLL
SCHEMBL16759883 0.90 MGLL (0.42) MGLL
SCHEMBL22911088 0.89 ATXN2 (0.40) ATXN2MGLLRAB9ADCPSCHEK2
SCHEMBL16759789 0.89 ATXN2 (0.40) ATXN2MGLLRAB9ADCPSCHEK2
SCHEMBL16759906 0.87 TTK (0.36) MGLLRAB9APTGER4ROCK2
SCHEMBL22911018 0.87 TTK (0.36) MGLLRAB9APTGER4ROCK2
SCHEMBL16759723 0.87 ROCK2 (0.42) MGLLROCK2
SCHEMBL22910859 0.87 ROCK2 (0.42) MGLLROCK2

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 ATXN2 1316/4885MGLL 3367/4885RAB9A 3807/4885

“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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