SCHEMBL3707225

SCHEMBL3707225

CC(C)(C)OC(=O)N1CC(N)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
BCHE P06276 1/20 0.44
NOTUM Q6P988 1/20 0.43
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
NAMPT P43490 1/20 0.38
USP30 Q70CQ3 2/20 0.38
RORC P51449 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
UCHL1 P09936 1/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL30346095 1.00 KDM1A (0.52) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL30346003 0.86 KDM1A (0.59) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL1985926 0.86 KDM1A (0.59) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL26090253 0.86 KDM1A (0.59) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL7004085 0.84 KDM1A (0.50) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL8016162 0.84 NOTUM (0.63) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL14222127 0.83 KDM1A (0.46) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL21209965 0.82 KDM1A (0.46) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL30027630 0.82 KDM1A (0.46) KDM1ABCHENOTUMHDAC1HDAC6
SCHEMBL8562821 0.82 NOTUM (0.46) KDM1ABCHENOTUMHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118891261-A Covalent EGFR inhibitors and methods of use thereof 丹娜-法伯癌症研究院 2024-11-01 CN disclosed
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-10-24 US disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
US-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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 (3 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 KDM1A 1598/4885BCHE 420/4885NOTUM 1722/4885
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 KDM1A 2409/4885BCHE 3156/4885NOTUM 3686/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 KDM1A 1598/4885BCHE 420/4885NOTUM 1722/4885

“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.