SCHEMBL12123751

SCHEMBL12123751

CC(C)CN(C)CCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 3/20 0.49
PTPN1 P18031 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
ACHE P22303 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
THRA P10827 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL22624889 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL13562522 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL12123908 0.83 SMN1; SMN2 (0.59) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL30173758 0.82 SMN1; SMN2 (0.66) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL5463532 0.82 SMN1; SMN2 (0.66) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL23782350 0.82 SMN1; SMN2 (0.66) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL12123748 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
Hydrochloric Acid SCHEMBL4922813 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL12123752 0.81 ACHE (0.67) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL22624965 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1ALDH1A1RAB9AKDM4E

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
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 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-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
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 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 (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 SMN1; SMN2 4304/4885NPC1 3708/4885ALDH1A1 4370/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK SMN1; SMN2 4304/4885NPC1 3708/4885ALDH1A1 4370/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK SMN1; SMN2 4304/4885NPC1 3708/4885ALDH1A1 4370/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK SMN1; SMN2 4304/4885NPC1 3708/4885ALDH1A1 4370/4885

“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.