SCHEMBL14648487

SCHEMBL14648487

Cc1ccccc1C1=N[C@H](C)CO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL17247289 1.00 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL2119357 0.89 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2NOS3
SCHEMBL2044082 0.87 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2NOS3
SCHEMBL7911819 0.82 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL28667784 0.81 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL28667786 0.81 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL13991579 0.81 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2NOS3
SCHEMBL15883113 0.78 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL12017252 0.78 RAB9A (0.38) MAPTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL14877791 0.78 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2CASP3

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-8653307-B2 Liphagal enantiomers and their derivatives and precursors, and enantioselective methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-02-18 US disclosed
US-20130023676-A1 LIPHAGAL ENANTIOMERS AND THEIR DERIVATIVES AND PRECURSORS, AND ENANTIOSELECTIVE METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-01-24 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-20130023676-A1 LIPHAGAL ENANTIOMERS AND THEIR DERIVATIVES AND PRECURSORS, AND ENANTIOSELECTIVE METHODS OF MAKING THE SAME LIPC, LIPE, LIPA MAPT 4788/4885NPC1 738/4885RAB9A 1884/4885

“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.