SCHEMBL22751978

SCHEMBL22751978

CC(C)C[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.58
CCR3 P51677 1/20 0.57
ALDH1A1 P00352 2/20 0.50
BCHE P06276 1/20 0.50
BACE1 P56817 1/20 0.50
CXCR4 P61073 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL17562354 1.00 ACHE (0.58) ACHECCR3ALDH1A1BCHEBACE1
SCHEMBL13948977 0.91 CYP2D6 (0.57) ACHEALDH1A1BCHECYP1A2CYP3A4
SCHEMBL8245441 0.90 ACHE (0.67) ACHECCR3ALDH1A1CXCR4
SCHEMBL24317322 0.87 FUCA1 (0.51) ACHECCR3
SCHEMBL17562351 0.85 BCHE (0.48) ACHEBCHEBACE1
SCHEMBL20257208 0.84 CCR3 (0.53) ACHECCR3ALDH1A1BCHEBACE1
SCHEMBL17562353 0.83 KDM1A (0.48) CCR3ALDH1A1
SCHEMBL13079120 0.82 CCR3 (0.62) ACHECCR3ALDH1A1BCHEBACE1
SCHEMBL22435962 0.82 CCR3 (0.62) ACHECCR3ALDH1A1BCHEBACE1
SCHEMBL12424946 0.82 CCR3 (0.62) ACHECCR3ALDH1A1BCHEBACE1

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 ACHE 4422/4885CCR3 3612/4885ALDH1A1 2932/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ACHE 4422/4885CCR3 3612/4885ALDH1A1 2932/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ACHE 4422/4885CCR3 3612/4885ALDH1A1 2932/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK ACHE 4422/4885CCR3 3612/4885ALDH1A1 2932/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK ACHE 4422/4885CCR3 3612/4885ALDH1A1 2932/4885

“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.