SCHEMBL13623217

SCHEMBL13623217

CN1CCN(c2ccc(N)cc2CCc2cccc(NC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.42
HTR1D P28221 5/20 0.42
HTR1B P28222 5/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
NPY1R P25929 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL13623214 0.90 AKT1 (0.49) NPY1RCYP3A4CYP2C19TLR7NPC1
SCHEMBL13623227 0.86 USP30 (0.41) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL4354851 0.84 USP30 (0.44) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL13622510 0.82 AURKA (0.43) NPY1RCYP3A4CYP2C19TLR7AURKA
SCHEMBL13670174 0.82 AURKA (0.43) NPY1RCYP3A4CYP2C19TLR7AURKA
SCHEMBL13623218 0.81 JAK3 (0.51) CYP3A4
SCHEMBL13622713 0.80 AURKA (0.48) NPY1RCYP3A4CYP2C19TLR7AURKA
SCHEMBL13669878 0.80 NOX4 (0.45) CYP3A4CYP2C19TLR7NPC1RAB9A
SCHEMBL1082210 0.79 AURKA (0.44) NPY1RCYP3A4CYP2C19TLR7AURKA
SCHEMBL1083486 0.78 TLR7 (0.37) HTR1AHTR1DHTR1BDRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK HTR1A 4624/4885HTR1D 4391/4885HTR1B 3946/4885

“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.