SCHEMBL7679162

SCHEMBL7679162

N[C@H](CN1CCCC1)[C@H](O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
MITF O75030 1/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 1/20 0.47
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.46
UGCG Q16739 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
POLB P06746 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
SCHEMBL17016723 0.98 ALDH1A1 (0.49) ALDH1A1HTTMITFRAB9AGFER
SCHEMBL12087995 0.85 POLB (0.56) ALDH1A1MITFATMSMN1; SMN2KDM4E
SCHEMBL1085018 0.85 POLB (0.56) ALDH1A1MITFATMSMN1; SMN2KDM4E
SCHEMBL6549264 0.85 POLB (0.56) ALDH1A1MITFATMSMN1; SMN2KDM4E
SCHEMBL296051 0.85 POLB (0.56) ALDH1A1MITFATMSMN1; SMN2KDM4E
SCHEMBL759898 0.85 UGCG (0.47) ALDH1A1ATMKDM4EMAPK1CYP2D6
Hydrochloric Acid SCHEMBL293896 0.84 KMT2A (0.55) ALDH1A1HTTMITFRAB9AATM
SCHEMBL12151256 0.83 LTA4H (0.46) ALDH1A1RAB9AATMSMN1; SMN2KDM4E
SCHEMBL1372724 0.83 LTA4H (0.46) ALDH1A1RAB9AATMSMN1; SMN2KDM4E
SCHEMBL19795864 0.83 HRH3 (0.47) ALDH1A1MITFRAB9APAX8SMN1; SMN2

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 55 patents — showing the first 20. 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
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 US disclosed
US-9828349-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity EXONHIT THERAPEUTICS SA (FR) 2017-11-28 US disclosed
US-9828349-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity EXONHIT THERAPEUTICS SA (FR) 2017-11-28 US disclosed
US-9399628-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2016-07-26 US disclosed
US-9399628-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2016-07-26 US disclosed
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-20080312236-A1 3-Heteroaryl-3-Hydroxy-2-Amino-Propyl Amines And Related Compounds Having Analgesic And/Or Immuno Stimlant Activity EXONHIT THERAPEUTICS SA (FR) 2008-12-18 US disclosed
US-20080312236-A1 3-Heteroaryl-3-Hydroxy-2-Amino-Propyl Amines And Related Compounds Having Analgesic And/Or Immuno Stimlant Activity EXONHIT THERAPEUTICS SA (FR) 2008-12-18 US disclosed
WO-2008109286-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-09-12 WO disclosed
WO-2008109287-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-09-12 WO disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 US disclosed
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2008-05-15 US disclosed
WO-2008024337-A2 COMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY, INC. (US) 2008-02-28 WO disclosed
US-6335444-B1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-01 US disclosed
US-5907039-A Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-05-25 US disclosed
EP-0782992-A1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 1997-07-09 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 (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-20080312236-A1 3-Heteroaryl-3-Hydroxy-2-Amino-Propyl Amines And Related Compounds Having Analgesic And/Or Immuno Stimlant Activity OPRL1, OPRM1, MRGPRX2 ALDH1A1 1377/4885HTT 564/4885MITF 607/4885
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA ALDH1A1 2367/4885HTT 1334/4885MITF 3444/4885
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA ALDH1A1 2367/4885HTT 1334/4885MITF 3444/4885
US-20080114167-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 ALDH1A1 4058/4885HTT 3027/4885MITF 3332/4885

“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.