SCHEMBL20524971

SCHEMBL20524971

CC(C)(C)OC(=O)[C@@H]1C[C@H]1c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LTB4R Q15722 1/20 0.41
MAPT P10636 1/20 0.40
KDM1A O60341 2/20 0.39
FFAR1 O14842 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PDE5A O76074 5/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOB P27338 1/20 0.38
HDAC4 P56524 1/20 0.37
SRD5A2 P31213 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
SCHEMBL20524969 1.00 MAPK1 (0.45) MAPK1SMN1; SMN2TDP1LTB4RMAPT
SCHEMBL15977388 0.86 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1KDM1AHRH3
SCHEMBL15977397 0.86 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1KDM1AHRH3
SCHEMBL15977398 0.86 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1KDM1AHRH3
SCHEMBL17003336 0.85 HTT (0.45) MAPK1SMN1; SMN2TDP1MAPTKDM1A
SCHEMBL17003334 0.85 HTT (0.45) MAPK1SMN1; SMN2TDP1MAPTKDM1A
SCHEMBL799768 0.84 ALDH1A1 (0.54) MAPK1SMN1; SMN2TDP1KDM1AFFAR1
SCHEMBL6731983 0.84 SLC6A2 (0.54) MAPTKDM1APDE5AMAOBSRD5A2
SCHEMBL13859341 0.83 SLC9A1 (0.50) MAPTHRH3
SCHEMBL12894947 0.83 SLC9A1 (0.50) ALDH1A1

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 16 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-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
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
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US 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-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
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
EP-2907802-B1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 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.