SCHEMBL29851140

SCHEMBL29851140

COc1cc(NC2C3CC4CC(C3)CC2C4)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ APP P05067 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KMT2A Q03164 1/20 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
SCHEMBL23480043 1.00 CYP3A4 (0.49) CYP3A4CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL23480090 0.83 JAK3 (0.43) CYP3A4CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL29170978 0.83 JAK3 (0.43) CYP3A4CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL30757841 0.79 P2RX7 (0.43) ALDH1A1MEN1KMT2AHSD11B1P2RX5
SCHEMBL23466887 0.79 P2RX7 (0.43) ALDH1A1MEN1KMT2AHSD11B1P2RX5
SCHEMBL24658837 0.79 CYP2C19 (0.46) CYP3A4CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL29851330 0.79 SIGMAR1 (0.42) CYP3A4CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL23479987 0.79 SIGMAR1 (0.42) CYP3A4CYP2C19CYP2C9ALDH1A1HSD17B10
SCHEMBL23479973 0.77 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9ALDH1A1TDP1
SCHEMBL23480046 0.73 ALDH1A1 (0.35) CYP3A4CYP2C19CYP2C9ALDH1A1HSD17B10

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 6 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
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

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 4501/4885CYP2C19 4338/4885CYP2C9 4559/4885
US-12590070-B2 Adamantane derivatives as inhibitors of focal adhesion kinase PTK2, CTTN, ADGRF1 CYP3A4 4664/4885CYP2C19 4726/4885CYP2C9 4413/4885

“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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