SCHEMBL22911094

SCHEMBL22911094

CCOc1cc(C(=O)N2CC3[C@H]4CN(C(=O)c5ccc6[nH]nnc6c5)C[C@H]4C3(O)C2)nc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.38
▸ P2RY12 Q9H244 3/20 0.38
▸ HIF1A Q16665 1/20 0.36
▸ HCRTR1 O43613 5/20 0.35
▸ HCRTR2 O43614 5/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL22910813 0.92 PDK2 (0.36) MGLLP2RY12NPC1ALOX15PDK2
SCHEMBL22911086 0.91 CNR2 (0.36) MGLL
SCHEMBL22911093 0.91 MGLL (0.43) MGLLP2RY12HIF1AHCRTR1HCRTR2
SCHEMBL16759905 0.91 MGLL (0.43) MGLLP2RY12HIF1AHCRTR1HCRTR2
SCHEMBL22911087 0.91 ENPP2 (0.36) MGLLKMT2ANAMPT
SCHEMBL22911144 0.90 MGLL (0.37) MGLLHIF1AHCRTR1HCRTR2NPC1
SCHEMBL22910574 0.90 MGLL (0.32) MGLLP2RY12ALOX15MAPT
SCHEMBL22911089 0.89 HCRTR1 (0.34) MGLLHIF1AHCRTR1HCRTR2NPC1
SCHEMBL22910578 0.88 ALDH1A1 (0.37) MGLLHCRTR1HCRTR2PDK2
SCHEMBL16961755 0.87 HCRTR1 (0.43) MGLLP2RY12HIF1AHCRTR1HCRTR2

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 MGLL 3367/4885P2RY12 2685/4885HIF1A 3162/4885

“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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