SCHEMBL12123737

SCHEMBL12123737

CN(C)CCC(=O)c1cc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.54
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
NPY2R P49146 3/20 0.50
ACKR3 P25106 1/20 0.48
OPRM1 P35372 6/20 0.48
RAB9A P51151 1/20 0.48
SLC9A1 P19634 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL12123735 0.83 BCL2L1 (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8537206 0.81 BCL2L1 (0.57) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11575531 0.81 BCL2L1 (0.61) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6846958 0.80 BCL2L1 (0.46) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11232455 0.80 BCL2L1 (0.64) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1574437 0.80 BCL2L1 (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10784071 0.80 BCL2L1 (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8574637 0.79 BCL2L1 (0.48) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6334117 0.79 BCL2L1 (0.62) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5163244 0.79 HDAC3 (0.55) BCL2L1HDAC3HDAC4HDAC1HDAC7

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
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK BCL2L1 714/4885HDAC3 3017/4885HDAC4 2222/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK BCL2L1 714/4885HDAC3 3017/4885HDAC4 2222/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK BCL2L1 714/4885HDAC3 3017/4885HDAC4 2222/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK BCL2L1 714/4885HDAC3 3017/4885HDAC4 2222/4885

“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.