SCHEMBL25047487

SCHEMBL25047487

COc1cc(NC2CCN([C@H]3C4CC5CC3C[C@@](O)(C5)C4)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.42
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL23480038 1.00 HSD11B1 (0.42) HSD11B1LMNAALDH1A1SIRT6MAPT
SCHEMBL29851378 1.00 HSD11B1 (0.42) HSD11B1LMNAALDH1A1SIRT6MAPT
SCHEMBL29170993 1.00 HSD11B1 (0.42) HSD11B1LMNAALDH1A1SIRT6MAPT
SCHEMBL29851363 0.89 CYP3A4 (0.43) LMNAALDH1A1SIRT6MAPTMAPK1
SCHEMBL23480093 0.89 CYP3A4 (0.43) LMNAALDH1A1SIRT6MAPTMAPK1
SCHEMBL25047230 0.85 CYP3A4 (0.44) HSD11B1LMNAALDH1A1SIRT6MAPT
SCHEMBL29851507 0.85 CYP3A4 (0.44) HSD11B1LMNAALDH1A1SIRT6MAPT
SCHEMBL29170991 0.85 CYP3A4 (0.44) HSD11B1LMNAALDH1A1SIRT6MAPT
SCHEMBL23480485 0.83 HSD11B1 (0.38) HSD11B1ALDH1A1SIGMAR1
SCHEMBL23480099 0.83 HSD11B1 (0.38) HSD11B1ALDH1A1SIGMAR1

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-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE INCHEON NATIONAL UNIVERSITY RESEARCH & BUSINESS FOUNDATION (KR) 2023-02-16 — — 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-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE PTK2, DAPK2, DAPK1 HSD11B1 3564/4885LMNA 2883/4885ALDH1A1 2271/4885

“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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