SCHEMBL1189368

SCHEMBL1189368

CC1NCCN(C(=O)OCc2ccccc2)C1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
PREP P48147 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
SCHEMBL1190728 1.00 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL1190724 1.00 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL27579312 0.85 HTR2C (0.49) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL8039932 0.80 SMN1; SMN2 (0.52) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL523993 0.79 HTR2C (0.67) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL1191153 0.79 HTR2C (0.67) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL583648 0.79 HTR2C (0.67) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL24326222 0.79 SMN1; SMN2 (0.51) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL4336812 0.79 HTR2C (0.47) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL1189692 0.78 HTR2C (0.52) HTR2CSMN1; SMN2NPC1RAB9APDK1

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 8 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
CN-101917981-B Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2012-11-14 CN disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
CN-101917981-A Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2010-12-15 CN 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 HTR2C 3244/4885SMN1; SMN2 3860/4885NPC1 3081/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 HTR2C 2523/4885SMN1; SMN2 3262/4885NPC1 2880/4885

“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.