SCHEMBL1189631

SCHEMBL1189631

CN(C)C1CN(Cc2ccccc2)CC12CC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.56
▸ JAK1 P23458 1/20 0.56
▸ SCN1A P35498 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ FUCA1 P04066 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL16908653 0.84 JAK2 (0.46) JAK2JAK1SCN1ASCN8AGAA
SCHEMBL16835473 0.80 JAK2 (0.47) JAK2JAK1SIGMAR1FUCA1ACHE
SCHEMBL12167511 0.80 ACHE (0.49) JAK2JAK1GAASIGMAR1FUCA1
SCHEMBL14302494 0.80 ACHE (0.49) JAK2JAK1GAASIGMAR1FUCA1
SCHEMBL5859524 0.80 JAK2 (0.47) JAK2JAK1GAASIGMAR1FUCA1
SCHEMBL1190440 0.80 JAK2 (0.47) JAK2JAK1GAASIGMAR1FUCA1
SCHEMBL9223591 0.80 JAK2 (0.47) JAK2JAK1GAASIGMAR1FUCA1
SCHEMBL19133451 0.79 JAK2 (0.45) JAK2JAK1SCN1ASCN8AGAA
SCHEMBL19614040 0.79 JAK2 (0.45) JAK2JAK1SCN1ASCN8AGAA
SCHEMBL19133453 0.79 JAK2 (0.45) JAK2JAK1SCN1ASCN8AGAA

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
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 — — EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 — — US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 — — US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 — — 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 (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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS JAK2 2904/4885JAK1 3810/4885SCN1A 4597/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 JAK2 3497/4885JAK1 3462/4885SCN1A 4398/4885

“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.

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