SCHEMBL19043239

SCHEMBL19043239

COc1ccc(OCCCC=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
KCNH2 Q12809 1/20 0.50
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2A6 P11509 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PPARA Q07869 1/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AHR P35869 1/20 0.45

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
SCHEMBL9697042 0.92 DRD2 (0.49) DRD2DRD4DRD3KCNH2MAPT
SCHEMBL19043217 0.92 DRD2 (0.49) DRD2DRD4DRD3KCNH2MAPT
SCHEMBL7928344 0.90 MAPT (0.50) DRD2DRD4DRD3KCNH2MAPT
SCHEMBL19043241 0.86 NQO1 (0.58) MAPTL3MBTL1HPGDALDH1A1TDP1
SCHEMBL8437034 0.84 DRD2 (0.58) DRD2DRD4DRD3KCNH2L3MBTL1
SCHEMBL5254427 0.81 LMNA (0.67) MAPTHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL5252590 0.81 NR5A1 (0.59)
SCHEMBL8434882 0.80 CA12 (0.61) DRD2DRD4DRD3KCNH2MAPT
SCHEMBL9808262 0.80 MAPT (0.62) DRD2DRD4DRD3KCNH2MAPT
SCHEMBL11323712 0.80 ALDH1A1 (0.59) DRD2DRD4DRD3KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA DRD2 3954/4885DRD4 4432/4885DRD3 4581/4885

“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.