SCHEMBL1223722

SCHEMBL1223722

COC(=O)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.61
ATM Q13315 1/20 0.60
SLC6A4 P31645 4/20 0.59
SLC6A3 Q01959 4/20 0.59
SLC6A2 P23975 3/20 0.59
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SLC9A1 P19634 1/20 0.51

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
SCHEMBL1223719 1.00 HDAC4 (0.61) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL2504396 1.00 HDAC4 (0.61) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL29451691 1.00 HDAC4 (0.61) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL6468821 0.90 ATM (0.55) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL7226867 0.90 ATM (0.55) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL6467986 0.89 ATM (0.54) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL17712999 0.87 SLC6A3 (0.66) ATMSLC6A4SLC6A3SLC6A2
SCHEMBL2773904 0.87 KDM1A (0.53) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL2773905 0.87 KDM1A (0.53) HDAC4ATMSLC6A4SLC6A3SLC6A2
SCHEMBL9753434 0.85 SLC6A3 (0.56) ATMSLC6A4SLC6A3SLC6A2

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 18 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-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-11479867-B2 Electrocatalytic alkene diazidation CORNELL UNIVERSITY (US) 2022-10-25 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
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
US-8822724-B2 Method for producing carboxylic acid amide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-02 US disclosed
EP-2599769-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE Sumitomo Chemical Company Limited (JP) 2013-06-05 EP disclosed
US-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED 2013-05-16 US disclosed
US-20110033393-A1 Hydrazone Compounds and Their Use REDPOINT BIO CORPORATION 2011-02-10 US disclosed
WO-2010132615-A1 HYDRAZONE COMPOUNDS AND THEIR USE STEIN PHILIP (US) 2010-11-18 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 (8 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 HDAC4 1635/4885ATM 143/4885SLC6A4 4345/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HDAC4 1635/4885ATM 143/4885SLC6A4 4345/4885
US-20180327381-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK HDAC4 1635/4885ATM 143/4885SLC6A4 4345/4885
US-20110033393-A1 Hydrazone Compounds and Their Use TRPM5, TRPV5, TRPM8 HDAC4 513/4885ATM 4266/4885SLC6A4 712/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HDAC4 1635/4885ATM 143/4885SLC6A4 4345/4885
US-20130123505-A1 METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE HCAR2, NAAA, FAAH2 HDAC4 496/4885ATM 3937/4885SLC6A4 3987/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HDAC4 1635/4885ATM 143/4885SLC6A4 4345/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK HDAC4 1635/4885ATM 143/4885SLC6A4 4345/4885

“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.