SCHEMBL751287

SCHEMBL751287

CCOC(=O)CNc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EGFR P00533 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
LMNA P02545 1/20 0.43
IDH1 O75874 1/20 0.42
DGAT1 O75907 1/20 0.42
PTPRB P23467 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL751477 0.85 DGAT1 (0.47) NPC1RAB9APOLBMAPTEGFR
SCHEMBL748866 0.81 NPC1 (0.52) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL222627 0.81 POLB (0.57) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL10077138 0.80 EGFR (0.49) MAPTKDM4ENPSR1EGFRCD274
SCHEMBL14590161 0.80 ALDH1A1 (0.50) RAB9ASMN1; SMN2MAPTEGFRCD274
SCHEMBL16404592 0.80 MAPT (0.54) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL12093593 0.79 POLB (0.61) NPC1RAB9APOLBSMN1; SMN2NPSR1
SCHEMBL10704732 0.78 POLB (0.62) NPC1RAB9APOLBSMN1; SMN2MAPT
SCHEMBL752391 0.77 CA1 (0.54) NPC1RAB9APOLBLMNADGAT1
SCHEMBL751293 0.76 ESRRG (0.55) NPC1RAB9APOLBSMN1; SMN2MAPT

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
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 NPC1 1101/4885RAB9A 2997/4885POLB 969/4885

“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.