SCHEMBL20524935

SCHEMBL20524935

CC(C)(C)OC(=O)C1CC1c1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMO O15229 1/20 0.44
KDM1A O60341 6/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
SLC9A1 P19634 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
LTB4R Q15722 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
FFAR1 O14842 1/20 0.37
HDAC4 P56524 1/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL20524994 1.00 MAPK1 (0.47) MAPK1SMN1; SMN2TDP1KMOKDM1A
SCHEMBL29793453 1.00 MAPK1 (0.47) MAPK1SMN1; SMN2TDP1KMOKDM1A
SCHEMBL24890704 0.87 DGAT2 (0.44) MAPK1SMN1; SMN2TDP1KDM1ASLC9A1
SCHEMBL17003109 0.87 DGAT2 (0.44) MAPK1SMN1; SMN2TDP1KDM1ASLC9A1
SCHEMBL17003112 0.87 DGAT2 (0.44) MAPK1SMN1; SMN2TDP1KDM1ASLC9A1
SCHEMBL15977388 0.84 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1KDM1AMAOB
SCHEMBL15977397 0.84 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1KDM1AMAOB
SCHEMBL15977398 0.84 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1KDM1AMAOB
SCHEMBL20524971 0.83 MAPK1 (0.45) MAPK1SMN1; SMN2TDP1KDM1AMAOB
SCHEMBL20524969 0.83 MAPK1 (0.45) MAPK1SMN1; SMN2TDP1KDM1AMAOB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
CN-114790186-A Fused ring compound as EP4 antagonist and preparation method and application thereof 武汉人福创新药物研发中心有限公司 2022-07-26 CN disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
EP-3609871-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS Aerie Pharmaceuticals, Inc. (US) 2020-02-19 EP disclosed
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2018-11-15 US disclosed
WO-2018183911-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2018-10-04 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 (6 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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK MAPK1 281/4885SMN1; SMN2 4577/4885TDP1 710/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK MAPK1 281/4885SMN1; SMN2 4577/4885TDP1 710/4885
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK MAPK1 281/4885SMN1; SMN2 4577/4885TDP1 710/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK MAPK1 281/4885SMN1; SMN2 4577/4885TDP1 710/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK MAPK1 281/4885SMN1; SMN2 4577/4885TDP1 710/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK MAPK1 281/4885SMN1; SMN2 4577/4885TDP1 710/4885

“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.