SCHEMBL2421369

SCHEMBL2421369

NC(=O)c1occc1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ACHE P22303 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 3/20 0.37
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL8469336 0.74 ALOX5 (0.38) L3MBTL1KDM4EGAAMEN1KMT2A
SCHEMBL38650817 0.74 ALOX5 (0.38) L3MBTL1KDM4EGAAMEN1KMT2A
SCHEMBL38650932 0.74 ALOX5 (0.38) L3MBTL1KDM4EGAAMEN1KMT2A
SCHEMBL23531063 0.74 ALOX5 (0.38) L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL3822968 0.73 CYP2C9 (0.51) L3MBTL1KDM4EGAAKMT2A
SCHEMBL30758065 0.73 ALOX5 (0.40) L3MBTL1KDM4EGAAMEN1KMT2A
SCHEMBL2774515 0.70 NPC1 (0.51) KDM4EMEN1KMT2AALDH1A1
SCHEMBL13748372 0.70 ALDH1A1 (0.50) L3MBTL1ACHEKDM4EMEN1KMT2A
SCHEMBL4668288 0.70 ALDH1A1 (0.40) KDM4EMEN1KMT2AALDH1A1
SCHEMBL9852555 0.69 L3MBTL1 (0.44) L3MBTL1ACHEKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190286-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 US claimed
EP-2552905-A1 B-RAF KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-02-06 EP claimed
WO-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO claimed

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-20130190286-A1 B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF L3MBTL1 424/4885ACHE 4677/4885KDM4E 2181/4885

“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.