SCHEMBL8106834

SCHEMBL8106834

COc1ccc([C@@H](O)CCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.65
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55
POLB P06746 3/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
LTA4H P09960 1/20 0.49

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
SCHEMBL20382528 1.00 HTR1A (0.65) HTR1AMEN1KMT2AMAPTKDM4E
SCHEMBL13342872 1.00 HTR1A (0.65) HTR1AMEN1KMT2AMAPTKDM4E
SCHEMBL7924618 0.85 ALDH1A1 (0.56) HTR1AMEN1KMT2AMAPTHRH3
SCHEMBL14960045 0.83 HRH3 (0.57) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL20382660 0.82 MAPT (0.54) HTR1AMEN1KMT2AMAPTKDM4E
SCHEMBL29204593 0.81 HRH3 (0.62) MEN1KMT2AMAPTHRH3ALDH1A1
SCHEMBL19043542 0.81 HRH3 (0.52) HTR1AMEN1KMT2AKDM4EHRH3
SCHEMBL10869155 0.81 HRH3 (0.57) HTR1ASLC6A4HRH3LTA4H
SCHEMBL13108495 0.81 SLC6A4 (0.49) HTR1ASLC6A4HRH3LTA4H
SCHEMBL18070205 0.81 HRH3 (0.49) HTR1AHRH3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253734-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-12-23 EP disclosed
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-12 US disclosed
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 US disclosed
EP-2550965-A2 Ceramide derivatives for treating polycystic kidney disease GENZYME CORPORATION (US) 2013-01-30 EP disclosed
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-12-20 US disclosed
US-8304447-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2012-11-06 US disclosed
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION 2010-10-07 US disclosed
WO-2010014554-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORPORATION (US) 2010-02-04 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 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 (4 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-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA HTR1A 4794/4885MEN1 3939/4885KMT2A 2914/4885
US-20100256216-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS ASAH2, GBA1, GAA HTR1A 4333/4885MEN1 3973/4885KMT2A 1937/4885
US-20120322786-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, ASAH2 HTR1A 4502/4885MEN1 2201/4885KMT2A 1338/4885
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA HTR1A 4794/4885MEN1 3939/4885KMT2A 2914/4885

“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.