SCHEMBL2600465

SCHEMBL2600465

c1cc2c(cc1CCCN1CCCC1)OCCO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.52
DRD2 P14416 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
HPGD P15428 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
HRH1 P35367 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KCNH2 Q12809 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
SCHEMBL16695160 0.98 ALDH1A1 (0.52) DPP7DRD2SLC6A4SLC6A3ALDH1A1
SCHEMBL16695191 0.97 CYP2D6 (0.50) DPP7DRD2SLC6A4SLC6A3ALDH1A1
SCHEMBL7996805 0.95 HRH1 (0.53) DPP7DRD2SLC6A4SLC6A3ALDH1A1
SCHEMBL19043227 0.89 SIGMAR1 (0.58) ALDH1A1MAPTCYP2D6HPGDSIGMAR1
SCHEMBL19043651 0.85 ALDH1A1 (0.56) ALDH1A1MAPTCYP2D6SIGMAR1NPC1
SCHEMBL20382666 0.84 DRD2 (0.48) DRD2SLC6A4SLC6A3ALDH1A1LTA4H
SCHEMBL16695377 0.81 DRD2 (0.51) DRD2SLC6A4SLC6A3LTA4HSIGMAR1
SCHEMBL11698547 0.81 DPP7 (0.67) DPP7ALDH1A1TRPV1HPGDSIGMAR1
SCHEMBL23731939 0.81 SIGMAR1 (0.44) SLC6A4ALDH1A1CYP2D6SIGMAR1NPC1
SCHEMBL22638788 0.81 ALDH1A1 (0.54) DRD2SLC6A4ALDH1A1MAPTHSD17B10

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118113-A1 COMPOUNDS TIRAPAZAMINE AND QUAZINONE FOR USE IN THE TREATMENT OF GM2 GANGLIOSIDOSES SOM INNOVATION BIOTECH, S.A. (ES) 2023-06-29 WO disclosed
EP-4201403-A1 COMPOUNDS TIRAPAZAMINE AND QUAZINONE FOR USE IN THE TREATMENT OF GM2 GANGLIOSIDOSES Som Innovation Biotech, S.L. (ES) 2023-06-28 EP disclosed
US-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2022-06-14 US disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3865125-A1 PHARMACEUTICAL COMPOSITION COMPRISING ELIGLUSTAT Kashiv Biosciences, LLC (US) 2021-08-18 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-20200306225-A1 STABLE N-((1R,2R)-1-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)-1-HYDROXY-3-(PYRROLIDIN-1-YL)PROPAN-2-YL) OCTANAMIDE (2R,3R)-2,3-DIHYDROXYSUCCINATE PREMIX AND PROCESS FOR PREPARATION THEREOF MSN LABORATORIES PRIVATE LTD R&D CENTER (IN) 2020-10-01 US disclosed
US-20190276398-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2019-09-12 US disclosed
US-10239832-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-26 US disclosed
EP-2550965-B1 Ceramide derivatives for treating polycystic kidney disease GENZYME CORP (US) 2019-01-16 EP disclosed
EP-2481407-A1 Compounds for use in treating cognitive disorders Allergan, Inc. (US) 2012-08-01 EP disclosed
EP-2067775-B1 A N-Acylsphingosine glucosyltransferase inhibitor GENZYME CORP (US) 2012-04-25 EP disclosed
EP-1409467-B1 A N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITOR GENZYME CORP (US) 2012-04-18 EP disclosed
WO-2010039256-A1 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2010-04-08 WO 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-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed
EP-2067775-A1 Synthesis of UDP-glucose: N-Acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2009-06-10 EP disclosed
WO-2009045503-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-04-09 WO disclosed
WO-2008150486-A2 2-ACYLAMINOPROPOANOL-TYPE GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2008-12-11 WO disclosed
WO-2008011487-A2 L-BENZYL-L-HYDR0XY-2, 3-DIAMIN0-PROPYL AMINES AND 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONICACID AMIDES FOR CHRONIC PAIN ALLERGAN, INC. (US) 2008-01-24 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-11358932-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 DPP7 532/4885DRD2 4753/4885SLC6A4 4370/4885
US-20200306225-A1 STABLE N-((1R,2R)-1-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)-1-HYDROXY-3-(PYRROLIDIN-1-YL)PROPAN-2-YL) OCTANAMIDE (2R,3R)-2,3-DIHYDROXYSUCCINATE PREMIX AND PROCESS FOR PREPARATION THEREOF HPD, CYP1B1, CYP4X1 DPP7 396/4885DRD2 341/4885SLC6A4 1450/4885
US-20190276398-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 DPP7 532/4885DRD2 4753/4885SLC6A4 4370/4885
US-10239832-B2 N-(1-hydroxy-3-(pyrrolidinyl)propan-2-yl)pyrrolidine-3-carboxamide derivatives as glucosylceramide synthase inhibitors GBA1, UGCG, GBA2 DPP7 531/4885DRD2 4673/4885SLC6A4 4359/4885

“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.