SCHEMBL4081631

SCHEMBL4081631

C(=C/c1ccccn1)\CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
G6PC1 P35575 1/20 0.46
EGFR P00533 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAOA P21397 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4081636 1.00 GPR52 (0.54) GPR52NPC1RAB9AMEN1KMT2A
SCHEMBL946754 0.83 NPC1 (0.50) GPR52NPC1RAB9AMEN1KMT2A
SCHEMBL29000605 0.81 MEN1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29926850 0.81 MEN1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28281740 0.80 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2660767 0.77 MEN1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30379649 0.77 MEN1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2660769 0.77 MEN1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8200615 0.76 NPC1 (0.47) GPR52NPC1RAB9AMEN1KMT2A
SCHEMBL4387560 0.76 EGFR (0.39) GPR52EGFR

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-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB GPR52 974/4885NPC1 19/4885RAB9A 4723/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 GPR52 972/4885NPC1 48/4885RAB9A 4606/4885

“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.