SCHEMBL22137646

SCHEMBL22137646

CC(C)N1CCCN(C)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
PIK3CD O00329 2/20 0.44
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7848559 0.87 PIK3CD (0.52) BRD4BRD2PIK3CDALDH1A1GAA
SCHEMBL12415723 0.76 PIK3CD (0.39) BRD4BRD2PIK3CDALDH1A1GAA
SCHEMBL25686839 0.75 P2RX7 (0.34) PIK3CDALDH1A1GAATHRBL3MBTL1
SCHEMBL12121671 0.73 BRD4 (0.54) BRD4BRD2PIK3CD
SCHEMBL23425833 0.71 PIK3CD (0.48) BRD4BRD2PIK3CDALDH1A1TOP2A
SCHEMBL27000302 0.71 PIK3CD (0.48) BRD4BRD2PIK3CDALDH1A1TOP2A
SCHEMBL13846595 0.71 PIK3CD (0.48) BRD4BRD2PIK3CDALDH1A1TOP2A
SCHEMBL26763861 0.71 PIK3CD (0.48) BRD4BRD2PIK3CDALDH1A1TOP2A
SCHEMBL14959575 0.70 SMN1; SMN2 (0.37) PIK3CDALDH1A1GAATHRBL3MBTL1
SCHEMBL12040692 0.70 P2RX7 (0.39) PIK3CDALDH1A1GAATHRBL3MBTL1

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 5 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
WO-2020132004-A1 BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD SAINT LOUIS UNIVERSITY (US) 2020-06-25 WO 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B BRD4 1716/4885BRD2 2492/4885PIK3CD 368/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK BRD4 432/4885BRD2 378/4885PIK3CD 128/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK BRD4 432/4885BRD2 378/4885PIK3CD 128/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK BRD4 432/4885BRD2 378/4885PIK3CD 128/4885

“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.