SCHEMBL748866

SCHEMBL748866

CCOC(=O)COc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
EGFR P00533 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DGAT1 O75907 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL18705322 0.88 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MAPTEGFR
SCHEMBL1668317 0.87 EPHX2 (0.59) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL18705329 0.86 ALDH1A1 (0.46) RAB9ASMN1; SMN2LMNAALDH1A1DGAT1
SCHEMBL750357 0.85 EPHX2 (0.58) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL8835699 0.84 GLA (0.55) GAANPSR1CA12CA1CA2
SCHEMBL750350 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL13459410 0.83 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL751287 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL4856473 0.80 EPHX2 (0.54) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL2399503 0.80 CA12 (0.58) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 5 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
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 2997/4885SMN1; SMN2 3865/4885

“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.