SCHEMBL19690205

SCHEMBL19690205

CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2)C(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.51
HDAC8 Q9BY41 1/20 0.47
NR1H2 P55055 4/20 0.47
NR1H3 Q13133 3/20 0.47
RORC P51449 3/20 0.46
GPR119 Q8TDV5 2/20 0.46
ROCK2 O75116 1/20 0.44
USP30 Q70CQ3 2/20 0.43
ABHD6 Q9BV23 1/20 0.43
PRKCQ Q04759 1/20 0.42
BACE1 P56817 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL19690344 0.91 CNR1 (0.45) HDAC6HDAC8NR1H2NR1H3RORC
SCHEMBL19690381 0.88 GPR119 (0.48) HDAC6HDAC8NR1H2NR1H3GPR119
SCHEMBL30775709 0.84 LMNA (0.50) GPR119USP30SMARCA2SMARCA4PBRM1
SCHEMBL23784833 0.84 LMNA (0.50) GPR119USP30SMARCA2SMARCA4PBRM1
SCHEMBL23784884 0.84 LMNA (0.50) GPR119USP30SMARCA2SMARCA4PBRM1
SCHEMBL23784831 0.84 LMNA (0.50) GPR119USP30SMARCA2SMARCA4PBRM1
SCHEMBL1349076 0.82 HDAC6 (0.45) HDAC6HDAC8RORCROCK2USP30
SCHEMBL38665341 0.82 USP30 (0.43) NR1H2NR1H3GPR119USP30BACE1
SCHEMBL3609982 0.78 USP30 (0.60) NR1H2NR1H3GPR119ROCK2USP30
SCHEMBL4154819 0.77 CNR1 (0.48) HDAC6HDAC8NR1H2NR1H3RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 HDAC6 315/4885HDAC8 317/4885NR1H2 1058/4885

“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.