SCHEMBL22857504

SCHEMBL22857504

CCCCCCCC(CCCC)CCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
LTA4H P09960 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GNAI3 P08754 3/20 0.39
GNAO1 P09471 3/20 0.39
GNAI1 P63096 3/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
BCHE P06276 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL22857557 0.98 HRH3 (0.46) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL19185680 0.98 LTA4H (0.44) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL21392491 0.96 LTA4H (0.45) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL19185641 0.96 LTA4H (0.45) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL19185652 0.96 LTA4H (0.45) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL19185581 0.96 LTA4H (0.45) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL25064562 0.92 LMNA (0.43) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL21725456 0.92 HRH3 (0.41) HRH3LTA4HGNAI3GNAO1GNAI1
SCHEMBL21361903 0.91 LTA4H (0.40) HRH3LTA4HLMNAKDM4EGNAI3
SCHEMBL3229098 0.89 HRH3 (0.48) HRH3LTA4HLMNAKDM4EGNAI3

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 4 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
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

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-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK HRH3 3745/4885LTA4H 3110/4885LMNA 3205/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HRH3 3745/4885LTA4H 3110/4885LMNA 3205/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK HRH3 3745/4885LTA4H 3110/4885LMNA 3205/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK HRH3 3745/4885LTA4H 3110/4885LMNA 3205/4885

“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.