SCHEMBL381268

SCHEMBL381268

COc1cc(NC2CCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
MAPT P10636 5/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR6 P50406 2/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
SIRT6 Q8N6T7 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FBP1 P09467 1/20 0.38

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
Hydrochloric Acid SCHEMBL381336 0.99 CCNE1 (0.46) CCNE1CDK2MAPTHTTCYP1A2
SCHEMBL30672807 0.93 ALDH1A1 (0.42) CCNE1CDK2MAPTHTTCYP1A2
SCHEMBL16391092 0.93 ALDH1A1 (0.42) CCNE1CDK2MAPTHTTCYP1A2
SCHEMBL16698364 0.93 ALDH1A1 (0.42) CCNE1CDK2MAPTHTTCYP1A2
SCHEMBL24658578 0.87 MAPT (0.52) MAPTHTTALDH1A1LMNASIRT6
SCHEMBL7613576 0.87 ALDH1A1 (0.46) MAPTHTTALDH1A1LMNASIRT6
SCHEMBL25047183 0.84 SIRT6 (0.56) MAPTHTR6ALDH1A1LMNASIRT6
SCHEMBL23466885 0.80 ALDH1A1 (0.45) MAPTHTTALDH1A1LMNASIRT6
SCHEMBL24658841 0.79 LMNA (0.47) MAPTHTTALDH1A1LMNASIRT6
SCHEMBL18970134 0.78 HTR4 (0.45) CDK2CYP1A2CYP2C19HTR6ALDH1A1

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 15 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
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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 (3 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 CCNE1 4103/4885CDK2 4056/4885MAPT 1648/4885
US-20230049557-A1 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE PTK2, DAPK2, DAPK1 CCNE1 3040/4885CDK2 676/4885MAPT 703/4885
US-12590070-B2 Adamantane derivatives as inhibitors of focal adhesion kinase PTK2, CTTN, ADGRF1 CCNE1 2229/4885CDK2 1022/4885MAPT 2917/4885

“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.