SCHEMBL1189223

SCHEMBL1189223

CN1CCN(Cc2ccccc2)CC12CC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.56
SIGMAR1 Q99720 3/20 0.55
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 3/20 0.47
CCR3 P51677 1/20 0.46
GAA P10253 1/20 0.46
DRD4 P21917 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRL1 P41146 1/20 0.45
ACHE P22303 1/20 0.45

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
Hydrochloric Acid SCHEMBL2908629 0.98 MC4R (0.54) MC4RSIGMAR1LMNAPOLBCYP3A4
SCHEMBL19320634 0.92 MC4R (0.60) MC4RSIGMAR1LMNAPOLBCYP3A4
SCHEMBL17609090 0.90 CYP2D6 (0.58) MC4RSIGMAR1LMNAPOLBCYP3A4
SCHEMBL19011883 0.87 CYP2D6 (0.55) MC4RSIGMAR1POLBCYP3A4HSD17B10
SCHEMBL14660884 0.82 MC4R (0.50) MC4RSIGMAR1LMNAPOLBCYP3A4
SCHEMBL30594794 0.81 SIGMAR1 (0.57) MC4RSIGMAR1LMNAPOLBCYP3A4
SCHEMBL21224982 0.81 GAA (0.54) MC4RSIGMAR1LMNAPOLBCYP3A4
Hydrochloric Acid SCHEMBL30594865 0.80 SIGMAR1 (0.55) MC4RSIGMAR1LMNAPOLBCYP3A4
SCHEMBL17609126 0.79 CYP2D6 (0.51) CYP3A4CYP2D6
SCHEMBL31019931 0.76 SIGMAR1 (0.50) MC4RSIGMAR1LMNAPOLBCYP3A4

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 6 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
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS MC4R 3937/4885SIGMAR1 2945/4885LMNA 3958/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 MC4R 4381/4885SIGMAR1 1138/4885LMNA 3820/4885

“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.