SCHEMBL25875967

SCHEMBL25875967

O=C(NCC1CCCCC1)c1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc3ccccc3c2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
CNR2 P34972 4/20 0.47
KDM1A O60341 4/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAOA P21397 2/20 0.45
POLB P06746 1/20 0.43
RCOR1 Q9UKL0 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
JAK2 O60674 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
SCHEMBL25875957 0.90 ROCK2 (0.41) CNR1CNR2KDM1AMAOARCOR1
SCHEMBL25875964 0.81 JAK2 (0.50) CNR1CNR2KDM1AHDAC6MEN1
SCHEMBL25876036 0.78 KMT2A (0.47) KDM1AKMT2AMAOAPOLBHDAC1
SCHEMBL25875961 0.77 ROCK2 (0.54) KDM1AMAOARCOR1HDAC3HDAC1
SCHEMBL25773048 0.75 ROCK2 (0.45) HDAC3HDAC1HDAC2JAK2ROCK2
SCHEMBL25773049 0.75 ROCK2 (0.45) HDAC3HDAC1HDAC2JAK2ROCK2
SCHEMBL22752015 0.74 ROCK2 (0.57) MEN1KMT2AJAK2ROCK2JAK1
SCHEMBL25875900 0.73 EPHX1 (0.60) KDM1AHDAC6MAOAHDAC3HDAC4
SCHEMBL25876019 0.72 JAK2 (0.56) KDM1AJAK2ROCK2JAK1TYK2
SCHEMBL22752069 0.72 ROCK2 (0.52) CNR1CNR2JAK2ROCK2JAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 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 (1 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 CNR1 2168/4885CNR2 1444/4885KDM1A 2837/4885

“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.