SCHEMBL23480093

SCHEMBL23480093

COc1cc(NC2CCN(C3C4CC5CC(C4)CC3C5)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SIGMAR1 Q99720 4/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CCR6 P51684 2/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ GFER P55789 1/20 0.35

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
SCHEMBL29851363 1.00 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL23480038 0.89 HSD11B1 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL29851378 0.89 HSD11B1 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL25047487 0.89 HSD11B1 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL29170993 0.89 HSD11B1 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL25047183 0.82 SIRT6 (0.56) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL24658841 0.82 LMNA (0.47) ALDH1A1LMNASIRT6MAPTSMN1; SMN2
SCHEMBL29851330 0.81 SIGMAR1 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1SIGMAR1
SCHEMBL23479987 0.81 SIGMAR1 (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1SIGMAR1
SCHEMBL23479973 0.81 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590070-B2 Adamantane derivatives as inhibitors of focal adhesion kinase SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2026-03-31 — — US disclosed
EP-4074697-B1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE SAMJIN PHARM CO LTD (KR) 2025-05-21 — — EP disclosed
CN-114929675-B Adamantane derivatives as focal adhesion kinase inhibitors 三进制药株式会社 2024-02-13 — — CN disclosed
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE INCHEON NATIONAL UNIVERSITY RESEARCH & BUSINESS FOUNDATION (KR) 2023-02-16 — — US disclosed
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE INCHEON NATIONAL UNIVERSITY RESEARCH & BUSINESS FOUNDATION (KR) 2023-02-16 — — US disclosed
EP-4074697-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE Samjin Pharmaceutical Co., Ltd. (KR) 2022-10-19 — — EP disclosed
EP-4074697-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE Samjin Pharmaceutical Co., Ltd. (KR) 2022-10-19 — — EP disclosed
CN-114929675-A Novel adamantane derivatives as inhibitors of focal adhesion kinase 三进制药株式会社 2022-08-19 — — CN disclosed
WO-2021111311-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE 삼진제약주식회사 2021-06-10 — — 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 (2 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 CYP3A4 4501/4885CYP2C9 4559/4885CYP2C19 4338/4885
US-12590070-B2 Adamantane derivatives as inhibitors of focal adhesion kinase PTK2, CTTN, ADGRF1 CYP3A4 4664/4885CYP2C9 4413/4885CYP2C19 4726/4885

“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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