SCHEMBL1190472

SCHEMBL1190472

O=C(OCc1ccccc1)N1CCNC2CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR2C P28335 1/20 0.45
ACE2 Q9BYF1 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
SCHEMBL18428254 0.91 PREP (0.48) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10169571 0.91 PREP (0.54) PREPSMN1; SMN2NPC1RAB9AACE2
SCHEMBL1934000 0.89 SMN1; SMN2 (0.50) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL34474706 0.89 SMN1; SMN2 (0.50) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16250272 0.85 PREP (0.47) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL17722317 0.85 PREP (0.47) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16250267 0.83 SIGMAR1 (0.51) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16254286 0.83 SIGMAR1 (0.51) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL928649 0.82 HTR2C (0.50) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30065232 0.82 SMN1; SMN2 (0.51) PREPSMN1; SMN2NPC1RAB9ACYP2C19

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 PREP 4/4885SMN1; SMN2 3860/4885NPC1 3081/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 PREP 9/4885SMN1; 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.