SCHEMBL22911082

SCHEMBL22911082

O=C(c1ccc2[nH]nnc2c1)N1C[C@@H]2C3CN(C(=O)c4ccc5c(c4)CCCC5)CC3(O)[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ KDM2B Q8NHM5 3/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ENPP2 Q13822 3/20 0.31
▸ ATXN2 Q99700 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ KCNK2 O95069 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ DGAT2 Q96PD7 1/20 0.30
▸ HSD11B1 P28845 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
SCHEMBL22911084 0.88 LMNA (0.39) LMNAKDM2BMGLLPDE2ATP53
SCHEMBL16759810 0.88 LMNA (0.39) LMNAKDM2BMGLLPDE2ATP53
SCHEMBL22911099 0.85 FASN (0.30) —
SCHEMBL22911064 0.83 PAX8 (0.41) HSD11B1
SCHEMBL22910877 0.83 GHSR (0.40) ALDH1A1
SCHEMBL22911158 0.83 ENPP2 (0.38) MGLLENPP2ATXN2
SCHEMBL22910765 0.82 IDH1 (0.39) KDM4EPDK2ALDH1A1HSD11B1
SCHEMBL22910998 0.81 CPS1 (0.38) KDM2BKDM4EALDH1A1
SCHEMBL22910986 0.81 AKR1C3 (0.44) ENPP2ATXN2
SCHEMBL22911141 0.80 HTR2B (0.40) 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 LMNA 1591/4885KDM2B 793/4885MGLL 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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