SCHEMBL1441955

SCHEMBL1441955

CC(=O)N1CCN(C2CC(N)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PIK3CD O00329 1/20 0.41
EPHX2 P34913 1/20 0.39
RET P07949 6/20 0.38
KIF5B P33176 6/20 0.38
KDR P35968 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASP6 P55212 1/20 0.37
GFER P55789 1/20 0.37
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IRAK3 Q9Y616 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
POLB P06746 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL31327078 0.88 CYP1A2 (0.36) CYP1A2TDP1PIK3CDEPHX2RET
SCHEMBL21740356 0.84 SETD2 (0.39) CYP1A2TDP1EPHX2POLB
SCHEMBL31397626 0.82 CYP1A2 (0.43) CYP1A2TDP1KDM4EIRAK1IRAK4
SCHEMBL15450907 0.82 CYP1A2 (0.46) CYP1A2TDP1PIK3CDEPHX2RET
SCHEMBL15508283 0.79 CYP1A2 (0.52) CYP1A2TDP1PIK3CDEPHX2KDM4E
SCHEMBL23570938 0.78 PIK3CD (0.44) CYP1A2TDP1PIK3CDEPHX2RET
SCHEMBL10216930 0.78 PIK3CD (0.44) CYP1A2TDP1PIK3CDEPHX2RET
SCHEMBL10217132 0.78 PIK3CD (0.44) CYP1A2TDP1PIK3CDEPHX2RET
SCHEMBL12606917 0.77 EPHX2 (0.45) CYP1A2TDP1PIK3CDEPHX2RET
SCHEMBL12829317 0.77 PIK3CD (0.43) CYP1A2TDP1PIK3CDEPHX2RET

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
WO-2025042956-A1 PDE 7 MODULATOR COMPOUNDS OMEROS CORPORATION (US) 2025-02-27 WO disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 EP disclosed
EP-2475668-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-07-18 EP disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
WO-2011064211-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-06-03 WO disclosed
WO-2011029915-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-03-17 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 (2 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI CYP1A2 33/4885TDP1 3741/4885PIK3CD 1661/4885
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 CYP1A2 25/4885TDP1 2810/4885PIK3CD 1496/4885

“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.