SCHEMBL22910868

SCHEMBL22910868

O=C(c1ccc2[nH]nnc2c1)N1C[C@@H]2C3CN(C(=O)c4cc(OCC5CC5)c5ccccc5c4)CC3(O)[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATXN2 Q99700 8/20 0.37
▸ MGLL Q99685 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CHEK2 O96017 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DCPS Q96C86 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ S1PR2 O95136 2/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL22911144 0.91 MGLL (0.37) MGLL
SCHEMBL22910870 0.91 ATXN2 (0.42) ATXN2MGLLPTGER4CHEK2RAB9A
SCHEMBL16759835 0.91 ATXN2 (0.42) ATXN2MGLLPTGER4CHEK2RAB9A
SCHEMBL22911086 0.91 CNR2 (0.36) ATXN2MGLLPTGER4CNR2CHEK2
SCHEMBL22911021 0.89 PDK2 (0.36) PTGER4RAB9ALRRK2ROCK2
SCHEMBL22910857 0.89 ROCK2 (0.37) MGLLROCK2
SCHEMBL22911081 0.88 CNR2 (0.37) ATXN2CNR2
SCHEMBL22910872 0.87 MGLL (0.31) MGLLROCK2
SCHEMBL22911094 0.81 MGLL (0.38) MGLL
SCHEMBL22911145 0.81 MGLL (0.42) MGLL

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 3367/4885PTGER4 1552/4885

“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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