SCHEMBL25875888

SCHEMBL25875888

O=C(NC1CCCCC1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
HPGD P15428 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
JAK2 O60674 2/20 0.52
ROCK2 O75116 2/20 0.52
JAK3 P52333 2/20 0.52
ROCK1 Q13464 2/20 0.52
IKBKB O14920 1/20 0.52
ACKR3 P25106 2/20 0.49
CYP1A2 P05177 1/20 0.46
RECQL P46063 1/20 0.46
HDAC3 O15379 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
DEGS1 O15121 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.45

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
SCHEMBL25875900 0.85 EPHX1 (0.60) MAOAMAOBHCAR2JAK2ROCK2
SCHEMBL25875896 0.84 DRD4 (0.66) ACKR3CYP1A2MAPK1SIGMAR1
SCHEMBL22752022 0.82 JAK2 (0.69) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL22857550 0.82 JAK2 (0.69) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL25875889 0.81 JAK2 (0.55) MAOAMAOBHCAR2JAK2ROCK2
SCHEMBL25478350 0.81 DEGS1 (0.68) HPGDHCAR2JAK2ROCK2JAK3
SCHEMBL25875914 0.78 JAK2 (0.53) MAOAMAOBHPGDHCAR2JAK2
SCHEMBL22752201 0.78 JAK2 (0.72) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL22857546 0.78 JAK2 (0.72) JAK2ROCK2JAK3ROCK1IKBKB
SCHEMBL21845726 0.77 JAK2 (0.64) JAK2ROCK2JAK3ROCK1IKBKB

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 MAOA 4402/4885MAOB 4665/4885HPGD 1495/4885

“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.