SCHEMBL22857553

SCHEMBL22857553

CSCCc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
SLC6A3 Q01959 2/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
DAO P14920 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
MIF P14174 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL25769143 0.87 TAAR1 (0.50) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL6495103 0.83 TAAR1 (0.63) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL3371633 0.82 TAAR1 (0.74) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL777268 0.81 TAAR1 (0.50) TAAR1IDO1AGXTDAOMIF
SCHEMBL29902380 0.81 TAAR1 (0.50) TAAR1IDO1AGXTDAOMIF
SCHEMBL775468 0.80 TAAR1 (0.55) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL19432539 0.79 TAAR1 (0.59) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL429765 0.78 TAAR1 (0.63) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL7817795 0.77 TAAR1 (0.52) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL18970679 0.77 TAAR1 (0.52) TAAR1SLC6A3IDO1AGXTDRD2

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 TAAR1 3775/4885SLC6A3 4272/4885IDO1 980/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK TAAR1 3775/4885SLC6A3 4272/4885IDO1 980/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK TAAR1 3775/4885SLC6A3 4272/4885IDO1 980/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK TAAR1 3775/4885SLC6A3 4272/4885IDO1 980/4885

“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.