SCHEMBL22587732

SCHEMBL22587732

O=C(Cc1cccc(C(F)(F)F)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 9/20 0.71
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ CHRM1 P11229 2/20 0.55
▸ OPRM1 P35372 3/20 0.54
▸ OPRK1 P41145 2/20 0.53
▸ OPRL1 P41146 1/20 0.53
▸ TNKS O95271 1/20 0.52
▸ PARP1 P09874 1/20 0.52
▸ PARP2 Q9UGN5 1/20 0.52
▸ CHRM2 P08172 1/20 0.51
▸ CHRM4 P08173 1/20 0.51
▸ CHRM5 P08912 1/20 0.51
▸ CHRM3 P20309 1/20 0.51

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
SCHEMBL22605829 0.90 HSD11B1 (0.63) HSD11B1LMNAMAPK1HTTCHRM1
SCHEMBL22594434 0.89 HSD11B1 (0.73) HSD11B1LMNAMAPK1HTTCHRM1
SCHEMBL30317157 0.89 HSD11B1 (0.73) HSD11B1LMNAMAPK1HTTCHRM1
SCHEMBL22588021 0.86 OPRK1 (0.67) HSD11B1MAPK1CHRM1OPRM1OPRK1
SCHEMBL22588037 0.83 HSD11B1 (0.58) HSD11B1LMNAMAPK1HTTCHRM1
SCHEMBL22588006 0.83 HSD11B1 (0.58) HSD11B1LMNAMAPK1HTTCHRM1
SCHEMBL22605752 0.83 OPRM1 (0.72) HSD11B1CHRM1OPRM1OPRK1OPRL1
SCHEMBL22587788 0.82 CYP3A4 (0.61) HSD11B1MAPK1CHRM1OPRM1OPRK1
SCHEMBL31285930 0.82 CYP3A4 (0.61) HSD11B1MAPK1CHRM1OPRM1OPRK1
SCHEMBL22587870 0.82 HSD11B1 (0.70) HSD11B1LMNAMAPK1HTTCHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 HSD11B1 525/4885MEN1 1881/4885KMT2A 2308/4885

“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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