SCHEMBL5402680

SCHEMBL5402680

Cn1cc(CCO)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.69
GPR84 Q9NQS5 1/20 0.67
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC6A4 P31645 1/20 0.52
TP53 P04637 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA2 P00918 1/20 0.50
RXFP1 Q9HBX9 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL29834888 0.89 HTR2A (0.65) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL5635157 0.89 HTR2A (0.65) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL27598427 0.88 HTR2A (0.63) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL1094688 0.86 GPR84 (0.74) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL7004405 0.85 HTR2A (0.73) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL9889542 0.83 HTR2A (0.71) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL11603000 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL7391194 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL18328036 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2KDM4E
SCHEMBL11359977 0.81 HTR2A (0.69) HTR2AGPR84KEAP1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772183-A Indolylethyl fluoroboric acid derivatives, and preparation method and application thereof 复旦大学 2023-03-10 CN disclosed
US-11420963-B2 Rebamipide prodrugs, preparation method and use thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2022-08-23 US disclosed
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof UNIV JINAN (CN) 2022-05-26 US disclosed
US-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same QUANTUM GENOMICS (FR) 2021-12-07 US disclosed
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Institut National de la Santé et de la Recherche Médicale (FR) 2021-10-07 US disclosed
CN-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed
EP-2865669-B1 NOVEL REBAMIPIDE PRODRUG, METHOD FOR PRODUCING SAME, AND USAGE THEREOF SAMJIN PHARM CO LTD (KR) 2021-04-28 EP disclosed
WO-2020007017-A1 CHIRAL BISAMINO-ETHER COMPOUNDS, AND METHOD OF PREPARATION AND USE THEREOF JINAN UNIVERSITY (CN) 2020-01-09 WO disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4242347-A Hypotensive indolylalkylpiperidyl guanidines and isoureas CIBA-GEIGY CORPORATION (US) 1980-12-30 US disclosed
US-4147786-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-04-03 US disclosed
US-4073911-A ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-14 US disclosed
US-4066780-A Pyranoindole derivatives as antiulcer agents AYERST MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed
US-4066779-A ANTIDEPRESSANT, ANTIULCER AYERST, MCKENNA AND HARRISON LTD. (CA) 1978-01-03 US disclosed
US-4041169-A TREATING AND PREVENTING ULCERS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-08-09 US disclosed
US-4036842-A FRIEDEL CRAFTS CATALYST AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-19 US disclosed
US-4021451-A P-(3,4-DIHYDRO-1-METHYL-1H-(1)BENZOTHIENO(2,3-C)PYRAN-1-YL)PHENYL) -ACETIC ACID AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-03 US disclosed
US-4003913-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-01-18 US 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-11192907-B2 Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same ANPEP, DNPEP, ENPEP HTR2A 3749/4885GPR84 1339/4885KEAP1 1303/4885
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof FHIT, BCAT1, BCAT2 HTR2A 2377/4885GPR84 1112/4885KEAP1 1061/4885
US-20210309678-A1 AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ANPEP, DNPEP, ENPEP HTR2A 3749/4885GPR84 1339/4885KEAP1 1303/4885
US-11420963-B2 Rebamipide prodrugs, preparation method and use thereof SI, CYP2A7, MLN HTR2A 3639/4885GPR84 1955/4885KEAP1 3571/4885

“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.