SCHEMBL15739641

SCHEMBL15739641

N#Cc1ccc(NC2CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.54
CTSS P25774 1/20 0.54
EPHX1 P07099 1/20 0.53
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CCR6 P51684 1/20 0.47
TRPA1 O75762 1/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PAX8 Q06710 1/20 0.43
DPP4 P27487 1/20 0.43
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL3475103 0.96 CTSK (0.57) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL3477124 0.94 CTSK (0.60) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL12733191 0.92 CCR6 (0.49) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL377685 0.85 CTSS (0.48) CTSKCTSSEPHX1CCR6TRPA1
Hydrochloric Acid SCHEMBL23302911 0.83 CTSS (0.47) CTSKCTSSEPHX1CCR6TRPA1
Hydrochloric Acid SCHEMBL383062 0.83 CTSS (0.47) CTSKCTSSEPHX1CCR6TRPA1
SCHEMBL3816119 0.83 IRAK4 (0.51) CTSKCTSSEPHX1CCR6TRPA1
SCHEMBL16480090 0.83 CCR6 (0.47) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL13450562 0.83 CCR6 (0.47) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL7790085 0.83 TRPA1 (0.47) CTSKCTSSEPHX1NPC1RAB9A

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-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
CN-105164124-B Compounds and compositions for treating parasitic diseases 诺华股份有限公司 2017-03-15 CN disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
CN-105164124-A Compounds and compositions for treating parasitic diseases NOVARTIS AG 2015-12-16 CN disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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 (2 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 CTSK 1706/4885CTSS 847/4885EPHX1 313/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 CTSK 1706/4885CTSS 847/4885EPHX1 313/4885

“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.