SCHEMBL7938433

SCHEMBL7938433

Bc1sc(CC)nc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL7944932 0.80 NPSR1 (0.45) NPC1RAB9AGAAALDH1A1KDM4E
SCHEMBL6502840 0.78 HCAR2 (0.39) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL14773411 0.78 ALDH1A1 (0.37) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL22774382 0.78 L3MBTL1 (0.40) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL2474416 0.77 GABRP (0.36) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL275768 0.74 HCAR2 (0.41) NPC1RAB9AHCAR2ALDH1A1TSHR
SCHEMBL12677143 0.73 RAB9A (0.38) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL3358641 0.73 RAB9A (0.33) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL2477424 0.73 RAB9A (0.33) NPC1RAB9AGAAMAPK1HCAR2
SCHEMBL11162603 0.70 ADRA2A (0.33) NPC1RAB9AGAAMAPK1HCAR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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 (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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR NPC1 588/4885RAB9A 3080/4885GAA 2500/4885

“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.