SCHEMBL763741

SCHEMBL763741

N[C@@H](Cc1ccc(O)cc1)CN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
SMYD3 Q9H7B4 2/20 0.46
OPRK1 P41145 1/20 0.44
SLC7A5 Q01650 1/20 0.43
GRIN2D O15399 8/20 0.43
GRIN3B O60391 8/20 0.43
ADRA1A P35348 8/20 0.43
GRIN1 Q05586 8/20 0.43
GRIN2A Q12879 8/20 0.43
GRIN2B Q13224 8/20 0.43
GRIN2C Q14957 8/20 0.43
GRIN3A Q8TCU5 8/20 0.43
ADRA1D P25100 6/20 0.43
ADRA1B P35368 6/20 0.43
DPP4 P27487 1/20 0.41

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
SCHEMBL9483326 0.82 DRD4 (0.50) GRIN2DGRIN3BADRA1AGRIN1GRIN2A
SCHEMBL7369953 0.82 EPHX1 (0.57) TAAR1SLC6A2
SCHEMBL3594490 0.82 EPHX1 (0.57) TAAR1SLC6A2
SCHEMBL3595876 0.82 EPHX1 (0.57) TAAR1SLC6A2
SCHEMBL1755597 0.82 ALOX15 (0.47) TAAR1SLC6A2OPRK1SLC7A5ADRA1A
Hydrochloric Acid SCHEMBL5757770 0.81 SLC6A4 (0.58) SLC6A2DPP4
SCHEMBL13405058 0.81 EPHX1 (0.55)
Hydrochloric Acid SCHEMBL6007251 0.81 EPHX1 (0.55) SLC6A2
SCHEMBL11991373 0.81 EPHX1 (0.55)
Hydrochloric Acid SCHEMBL4350813 0.81 EPHX1 (0.55) SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266968-B1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORP (US) 2013-01-09 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
US-8138353-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2012-03-20 US disclosed
EP-2266968-A2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2010-12-29 EP disclosed
US-7763738-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2010-07-27 US disclosed
US-7615573-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-10 US disclosed
EP-2067775-A1 Synthesis of UDP-glucose: N-Acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2009-06-10 EP disclosed
US-20080058514-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS HIRTH BRADFORD H 2008-03-06 US disclosed
US-20070203223-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2007-08-30 US disclosed
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents GENZYME CORPORATION 2003-03-13 US 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 (3 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-20080058514-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 TAAR1 4553/4885SLC6A2 436/4885SMYD3 1202/4885
US-20070203223-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 TAAR1 4553/4885SLC6A2 436/4885SMYD3 1202/4885
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents UGCG, UGGT1, LCLAT1 TAAR1 3760/4885SLC6A2 1402/4885SMYD3 907/4885

“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.