SCHEMBL4401738

SCHEMBL4401738

C(CN1CCOCC1)NCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KDM1A O60341 2/20 0.53
ACE2 Q9BYF1 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.50
DUSP3 P51452 1/20 0.50
KEAP1 Q14145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PAOX Q6QHF9 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL8309741 0.89 ACE2 (0.72) CA12CA1CA2CA9KDM1A
SCHEMBL13520192 0.89 TSHR (0.49) CA12CA1CA2CA9KDM1A
SCHEMBL535923 0.89 ALDH1A1 (0.57) CA12CA1CA2CA9KDM1A
SCHEMBL15125105 0.89 KDM1A (0.46) CA12CA1CA2CA9KDM1A
SCHEMBL8309738 0.89 KDM1A (0.46) CA12CA1CA2CA9KDM1A
SCHEMBL3523671 0.89 KDM1A (0.46) CA12CA1CA2CA9KDM1A
SCHEMBL18024084 0.89 KDM1A (0.46) CA12CA1CA2CA9KDM1A
SCHEMBL13187875 0.87 ALDH1A1 (0.55) CA12CA1CA2CA9KDM1A
SCHEMBL2703833 0.87 CARM1 (0.48) CA12CA1CA2CA9KDM1A
SCHEMBL16676932 0.86 ALDH1A1 (0.54) CA12CA1CA2CA9KDM1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119438590-A Method for in-situ labelling lysosomal protein in living cell and reagent used in same 北京大学 2025-02-14 CN claimed
CN-119438590-A Method for in-situ labelling lysosomal protein in living cell and reagent used in same 北京大学 2025-02-14 CN disclosed
US-20240199788-A1 METHOD OF PRODUCING MORPHOLINE CATALYSTS FOR RIGID FOAM SYSTEMS AND USES THEREOF HUNTSMAN PETROCHEMICAL LLC 2024-06-20 US disclosed
EP-4323325-A1 METHOD OF PRODUCING MORPHOLINE CATALYSTS FOR RIGID FOAM SYSTEMS AND USES THEREOF Huntsman Petrochemical LLC (US) 2024-02-21 EP disclosed
CN-110922437-B Glucose compound, pharmaceutical composition and application thereof 凯惠科技发展(上海)有限公司 2023-11-03 CN disclosed
WO-2022221041-A1 METHOD OF PRODUCING MORPHOLINE CATALYSTS FOR RIGID FOAM SYSTEMS AND USES THEREOF HUNTSMAN PETROCHEMICAL LLC (US) 2022-10-20 WO disclosed
CN-110922437-A Glucose compound, pharmaceutical composition and application thereof 凯惠科技发展(上海)有限公司 2020-03-27 CN disclosed
WO-2020057605-A2 GLUCOSE COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 凯惠科技发展(上海)有限公司 2020-03-26 WO disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-1100816-B1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE BASILEA PHARMACEUTICA AG (CH) 2007-08-08 EP disclosed
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 US disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
EP-1090031-A1 SUBSTITUTED CYCLOOCTADEPSIPEPTIDES Bayer Aktiengesellschaft (DE) 2001-04-11 EP disclosed
WO-1999067281-A1 SUBSTITUTED CYCLOOCTADEPSIPEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-29 WO disclosed
US-4895840-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-01-23 US disclosed
EP-0295010-A1 Derivatives of alkylaminoalkyl ureas and cyanoguanidines A.H. ROBINS COMPANY, INCORPORATED (US) 1988-12-14 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CA12 717/4885CA1 174/4885CA2 182/4885
US-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 CA12 2313/4885CA1 2699/4885CA2 2017/4885
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 CA12 4785/4885CA1 4313/4885CA2 3780/4885

“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.