SCHEMBL521437

SCHEMBL521437

COc1cc(OC2CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
SIRT6 Q8N6T7 1/20 0.43
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
KCNH2 Q12809 1/20 0.43
ROCK1 Q13464 4/20 0.42
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL29851268 1.00 ALDH1A1 (0.45) ALDH1A1LMNASIRT6ACVR1BTGFBR1
Hydrochloric Acid SCHEMBL29379635 0.99 ALDH1A1 (0.44) ALDH1A1LMNASIRT6ACVR1BTGFBR1
Hydrochloric Acid SCHEMBL382604 0.99 ALDH1A1 (0.44) ALDH1A1LMNASIRT6ACVR1BTGFBR1
SCHEMBL26087309 0.88 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTTDP1
SCHEMBL224959 0.85 ALDH1A1 (0.46) ALDH1A1LMNASIRT6MAPTTDP1
SCHEMBL25725927 0.84 ALDH1A1 (0.43) ALDH1A1LMNAROCK1ROCK2PRKACA
SCHEMBL375364 0.83 SIRT6 (0.57) ALDH1A1LMNASIRT6TGFBR1ACVR1
SCHEMBL29446151 0.83 SIRT6 (0.57) ALDH1A1LMNASIRT6TGFBR1ACVR1
Hydrochloric Acid SCHEMBL9014064 0.83 MAPT (0.45) ALDH1A1LMNAROCK1ROCK2PRKACA
Hydrochloric Acid SCHEMBL16513834 0.80 ATM (0.44) ALDH1A1LMNAROCK1ROCK2PRKACA

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 17 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
WO-2021111311-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE 삼진제약주식회사 2021-06-10 WO disclosed
WO-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed
WO-2017097113-A1 AMINOPYRIMIDINE COMPOUNDS FOR INHIBITING ACITIVITY OF PROTEIN TYROSINE KINASE 深圳市塔吉瑞生物医药有限公司 2017-06-15 WO disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (4 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO ALDH1A1 864/4885LMNA 3826/4885SIRT6 1314/4885
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE PTK2, DAPK2, DAPK1 ALDH1A1 2271/4885LMNA 2883/4885SIRT6 3546/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885LMNA 3783/4885SIRT6 3364/4885
US-12590070-B2 Adamantane derivatives as inhibitors of focal adhesion kinase PTK2, CTTN, ADGRF1 ALDH1A1 1097/4885LMNA 1512/4885SIRT6 3807/4885

“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.