SCHEMBL1338546

SCHEMBL1338546

CC(C)C[C@H]1COC(c2ccccc2)=N1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPK1 P28482 1/20 0.54
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
TAAR1 Q96RJ0 4/20 0.49
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL1338821 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL5067478 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL7691543 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL13980023 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL10358866 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL3051865 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL14821250 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL31037188 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL14154795 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL29256447 0.79 MAPK1 (0.50) NPC1RAB9ASMN1; SMN2MAPK1MAPT

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-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO NPC1 4531/4885RAB9A 3802/4885SMN1; SMN2 3368/4885

“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.