SCHEMBL2275704

SCHEMBL2275704

CCN1CCC[C@@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ACE P12821 7/20 0.45
REN P00797 3/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
F2 P00734 1/20 0.45
LTA4H P09960 1/20 0.45
MAPT P10636 1/20 0.45
PEPD P12955 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS1 P23219 1/20 0.45
HTR2A P28223 1/20 0.45
PTGS2 P35354 1/20 0.45
HRH1 P35367 1/20 0.45
THPO P40225 1/20 0.45
PMP22 Q01453 1/20 0.45
ACE2 Q9BYF1 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
SCHEMBL151569 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1ACERENLMNA
SCHEMBL151570 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1ACERENLMNA
SCHEMBL593020 0.98 ALDH1A1 (0.46) ALDH1A1L3MBTL1ACERENLMNA
Hydrochloric Acid SCHEMBL9148101 0.98 ALDH1A1 (0.46) ALDH1A1L3MBTL1ACERENLMNA
Lithium SCHEMBL593022 0.98 ALDH1A1 (0.46) ALDH1A1L3MBTL1ACERENLMNA
Ammonia Solution, Strong SCHEMBL5017115 0.98 ALDH1A1 (0.46) ALDH1A1L3MBTL1ACERENLMNA
Hydrochloric Acid SCHEMBL9432225 0.98 ALDH1A1 (0.46) ALDH1A1L3MBTL1ACERENLMNA
SCHEMBL5434462 0.94 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1ACERENLMNA
SCHEMBL2158601 0.94 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1ACERENLMNA
SCHEMBL315372 0.94 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1ACERENLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108660131-B Preparation method of immobilized nitrile hydratase and (S) -N-ethylpyrrolidine-2-formamide 浙江工业大学 2020-07-21 CN claimed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US claimed
WO-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO claimed
EP-4301747-A1 INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Mindset Pharma Inc. (CA) 2024-01-10 EP disclosed
CN-117242065-A Indole derivatives as serotonergic agents for the treatment of diseases associated therewith 明德赛特制药公司 2023-12-15 CN disclosed
WO-2023019366-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2023-02-23 WO disclosed
WO-2023006019-A1 POLYSUBSTITUTED BENZENE PD-L1 INHIBITOR, COMPOSITION AND USE THEREOF 杭州和正医药有限公司 2023-02-02 WO disclosed
WO-2022183288-A1 INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2022-09-09 WO disclosed
CN-114615976-A Kappa opioid receptor peptide amide agonists 人福医药美国公司 2022-06-10 CN disclosed
CN-108660131-B Preparation method of immobilized nitrile hydratase and (S) -N-ethylpyrrolidine-2-formamide 浙江工业大学 2020-07-21 CN disclosed
CN-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
US-7989634-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-08-02 US disclosed
US-20110105511-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS PURDUE PHARMA L.P. 2010-06-03 US disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed
US-20070015823-A1 Ambruticin VS compounds KOSAN BIOSCIENCES INCORPORATED 2007-01-18 US disclosed
WO-2006071079-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 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 (5 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 ALDH1A1 147/4885L3MBTL1 4240/4885ACE 763/4885
US-20070015823-A1 Ambruticin VS compounds ERG28, O60361, CYP51A1 ALDH1A1 4158/4885L3MBTL1 998/4885ACE 3636/4885
US-20100137306-A1 HETEROCYCLIC TRPV1 RECEPTOR LIGANDS TRPV1, TRPA1, TRPV2 ALDH1A1 566/4885L3MBTL1 4485/4885ACE 4382/4885
US-20110105511-A1 POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB3 ALDH1A1 4540/4885L3MBTL1 2161/4885ACE 2493/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL ALDH1A1 533/4885L3MBTL1 1661/4885ACE 1980/4885

“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.