SCHEMBL17865666

SCHEMBL17865666

CC(=O)N1CCC(c2cc3cc(C)cc(NC4CCOCC4)c3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.39
BTK Q06187 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
CDK9 P50750 5/20 0.35
CCNT1 O60563 3/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CDK7 P50613 1/20 0.35
IRAK1 P51617 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FASN P49327 2/20 0.35
OPRK1 P41145 1/20 0.35
JAK1 P23458 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 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
SCHEMBL17865721 0.91 CDK9 (0.39) BTKCDK9CCNT1JAK1ITK
SCHEMBL17865687 0.82 BRD4 (0.40) CDK9CCNT1
SCHEMBL16525681 0.81 PARP14 (0.35) PARP14BTKIRAK4CDK9CCNT1
SCHEMBL22476780 0.77 HRH4 (0.51)
SCHEMBL16523116 0.75 HRH4 (0.44)
SCHEMBL3000216 0.74 NPY5R (0.50) IRAK4IRAK1JAK1ITKCASP7
SCHEMBL3415446 0.74 NPY5R (0.40) KDM4EPDE4B
SCHEMBL1278311 0.73 KDM4E (0.34) PARP14KDM4EOPRK1JAK1PDE4B
SCHEMBL1278313 0.73 KDM4E (0.34) PARP14KDM4EOPRK1JAK1PDE4B
SCHEMBL17865549 0.73 HRH4 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US claimed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP claimed
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP 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-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF PARP14 3810/4885BTK 3952/4885IRAK4 1376/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF PARP14 3408/4885BTK 3319/4885IRAK4 1089/4885

“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.