SCHEMBL749735

SCHEMBL749735

CCOC(=O)c1ccc(OCCOC)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 7/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSP90AA1 P07900 2/20 0.43
GABRP O00591 5/20 0.43
GABRD O14764 5/20 0.43
GABRA1 P14867 5/20 0.43
GABRB1 P18505 5/20 0.43
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRA4 P48169 5/20 0.43
GABRE P78334 5/20 0.43
GABRA6 Q16445 5/20 0.43

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
SCHEMBL361098 0.86 MAPK1 (0.56) TDP1L3MBTL1MAPTRAB9AKDM4E
SCHEMBL30402493 0.86 MAPK1 (0.56) TDP1L3MBTL1MAPTRAB9AKDM4E
SCHEMBL9901416 0.86 CYP1A2 (0.51) CYP1A2MAPTNPC1RAB9AHSP90AA1
SCHEMBL31680822 0.82 P4HTM (0.41) TDP1MAPTNPC1RAB9AKDM4E
SCHEMBL362304 0.81 P4HTM (0.58) CYP1A2TDP1L3MBTL1MAPTKDM4E
SCHEMBL29889518 0.80 CHEK2 (0.48) MAPTKMT2A
Hydrochloric Acid SCHEMBL11372982 0.80 PLA2G4B (0.40) CYP1A2TDP1L3MBTL1MAPTNPC1
SCHEMBL2140228 0.78 NPC1 (0.50) CYP1A2MAPTNPC1RAB9AGABRP
SCHEMBL225619 0.78 KDM4E (0.60) KDM4EALDH1A1
SCHEMBL712413 0.78 CYP1A2 (0.50) CYP1A2TDP1L3MBTL1MAPTNPC1

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 2 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-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 CYP1A2 25/4885TDP1 1579/4885L3MBTL1 3671/4885

“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.