SCHEMBL7928344

SCHEMBL7928344

COc1ccc(OCCC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP2A6 P11509 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
APP P05067 2/20 0.46
RAB9A P51151 2/20 0.45
LTA4H P09960 1/20 0.44

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
SCHEMBL19043239 0.90 DRD2 (0.51) MAPTMTNR1AMTNR1BDRD2DRD4
SCHEMBL9697042 0.86 DRD2 (0.49) MAPTMTNR1AMTNR1BDRD2DRD4
SCHEMBL19043217 0.86 DRD2 (0.49) MAPTMTNR1AMTNR1BDRD2DRD4
SCHEMBL19287122 0.86 KDM4E (0.45) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7352176 0.83 NQO1 (0.58) MAPTALDH1A1HPGDCA12CA1
SCHEMBL9808662 0.83 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1HPGD
SCHEMBL19043228 0.83 LTA4H (0.52) MAPTALDH1A1HPGDCA12CA1
SCHEMBL19287147 0.81 MAPK1 (0.56) MTNR1AMTNR1BALDH1A1L3MBTL1MAPK1
SCHEMBL16672091 0.81 LTA4H (0.50) MAPTALDH1A1L3MBTL1HPGDLTA4H
SCHEMBL11281493 0.80 LMNA (0.64) MAPTALDH1A1L3MBTL1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9744153-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
EP-3078373-A1 2-ACYLAMINOPROPANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITOR Genzyme Corporation (US) 2016-10-12 EP disclosed
EP-2594565-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594564-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594563-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
EP-2594562-A2 2-acylaminopropanol-type glucosylceramide synthase inhibitors Genzyme Corporation (US) 2013-05-22 EP disclosed
WO-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA MAPT 2401/4885MTNR1A 4397/4885MTNR1B 3433/4885

“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.