SCHEMBL22752189

SCHEMBL22752189

CC(C)C(=O)NC[C@@H]1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.44
CPB2 Q96IY4 2/20 0.44
PBK Q96KB5 5/20 0.43
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
EPHX1 P07099 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CHEK1 O14757 2/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37
TSHR P16473 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
SCHEMBL22752000 1.00 CPN1 (0.44) CPN1CPB2PBKTLR9TLR8
SCHEMBL12413663 1.00 CPN1 (0.44) CPN1CPB2PBKTLR9TLR8
SCHEMBL12413661 0.90 SLC6A1 (0.46) TLR9TLR8TLR7EPHX1SIGMAR1
SCHEMBL13459954 0.90 SLC6A1 (0.46) TLR9TLR8TLR7EPHX1SIGMAR1
SCHEMBL13459955 0.90 SLC6A1 (0.46) TLR9TLR8TLR7EPHX1SIGMAR1
SCHEMBL22857559 0.84 CPN1 (0.46) CPN1CPB2PBKTLR9TLR8
SCHEMBL22857495 0.84 CPN1 (0.46) CPN1CPB2PBKTLR9TLR8
SCHEMBL24915904 0.84 DPP4 (0.37) SIGMAR1KMT2ADPP4PREPFAP
SCHEMBL21740128 0.82 CPN1 (0.40) CPN1CPB2PBKTLR9TLR8
SCHEMBL13212506 0.81 PBK (0.45) CPN1CPB2PBKEPHX1CHEK1

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 7 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-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

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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885PBK 1696/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885PBK 1696/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885PBK 1696/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885PBK 1696/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CPN1 3856/4885CPB2 4240/4885PBK 1696/4885

“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.