SCHEMBL14243176

SCHEMBL14243176

CC(C)(C)OC(=O)N1CCCOc2c(Br)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.47
KDM1A O60341 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
NOTUM Q6P988 1/20 0.40
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA6 Q16445 1/20 0.36
USP30 Q70CQ3 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL19690341 0.93 NOTUM (0.47) UCHL1KDM1AHDAC1HDAC6NOTUM
SCHEMBL14158701 0.80 NOTUM (0.43) UCHL1HDAC1HDAC6NOTUMMEN1
SCHEMBL20571008 0.80 UCHL1 (0.61) UCHL1KDM1AHDAC1HDAC6NOTUM
SCHEMBL30147617 0.80 UCHL1 (0.61) UCHL1KDM1AHDAC1HDAC6NOTUM
SCHEMBL3132755 0.80 NOTUM (0.54) KDM1AHDAC1HDAC6NOTUMBCHE
SCHEMBL307163 0.78 NOTUM (0.45) UCHL1KDM1AHDAC1HDAC6NOTUM
SCHEMBL29753157 0.78 NOTUM (0.45) UCHL1KDM1AHDAC1HDAC6NOTUM
SCHEMBL29753484 0.77 HDAC1 (0.47) KDM1AHDAC1HDAC6NOTUMBCHE
SCHEMBL29535019 0.77 UCHL1 (0.67) UCHL1KDM1AHDAC1HDAC6NOTUM
SCHEMBL1284259 0.77 UCHL1 (0.67) UCHL1KDM1AHDAC1HDAC6NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209652-B1 TRICYCLIC ATROPISOMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-15 EP disclosed
US-10023534-B2 Carbazole and tetrahydrocarbazole compounds useful as inhibitors of BTK BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170355673-A1 TRICYCLIC ATROPISOMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 US disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 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 (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-20170355673-A1 TRICYCLIC ATROPISOMER COMPOUNDS BTK, LCK, SYK UCHL1 3170/4885KDM1A 1432/4885HDAC1 499/4885
US-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 UCHL1 2838/4885KDM1A 3166/4885HDAC1 459/4885
US-10023534-B2 Carbazole and tetrahydrocarbazole compounds useful as inhibitors of BTK BTK, JAK2, SYK UCHL1 3173/4885KDM1A 495/4885HDAC1 399/4885

“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.