SCHEMBL1584079

SCHEMBL1584079

COCC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPR P35270 10/20 0.79
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
MAPT P10636 1/20 0.71
IDO1 P14902 1/20 0.71
HPGD P15428 1/20 0.71
BLM P54132 1/20 0.71
NOTUM Q6P988 1/20 0.71
TRPV1 Q8NER1 5/20 0.67
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 1/20 0.62
HTR2C P28335 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL12720729 0.88 SPR (1.00) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL14297204 0.88 SPR (0.77) SPRKDM4EALDH1A1CYP2D6CYP1A2
SCHEMBL12720728 0.87 SPR (0.74) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL12720741 0.87 SPR (0.75) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL12720806 0.87 SPR (1.00) SPRMAPTNOTUMTRPV1MEN1
SCHEMBL1131640 0.86 SPR (0.76) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL14297219 0.86 SPR (0.73) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL12720852 0.86 SPR (0.73) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL4686124 0.85 TRPV1 (0.84) SPRKDM4EALDH1A1NPSR1CYP2D6
SCHEMBL12720829 0.85 SPR (0.72) SPRKDM4EALDH1A1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210826-A1 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2013-08-15 US claimed
US-20110207753-A1 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2011-08-25 US claimed
EP-1696877-A2 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2006-09-06 EP claimed
US-20050197341-A1 Methods for treating pain GENERAL HOSPITAL CORPORATION, THE 2005-09-08 US claimed
WO-2005048926-A2 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2005-06-02 WO claimed
EP-1477165-A2 Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis Cornell Research Foundation, INC. (US) 2004-11-17 EP claimed
WO-2019175332-A1 BH4 PATHWAY INHIBITION AND USE THEREOF FOR TREATING T-CELL MEDIATED AUTOIMMUNE DISEASES OR HYPERSENSITIVITY IMBA - INSTITUT FÜR MOLEKULARE BIOTECHNOLOGIE GMBH (AT) 2019-09-19 WO disclosed
US-10059664-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-08-28 US disclosed
US-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 US disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 US disclosed
US-20130210826-A1 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2013-08-15 US disclosed
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SOLACE PHARMACEUTICALS UK LTD. (GB) 2012-12-20 US disclosed
EP-2488025-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN Children's Medical Center Corporation (US) 2012-08-22 EP disclosed
US-20050197341-A1 Methods for treating pain GENERAL HOSPITAL CORPORATION, THE 2005-09-08 US disclosed
WO-2005048926-A2 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2005-06-02 WO disclosed
EP-1477165-A2 Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis Cornell Research Foundation, INC. (US) 2004-11-17 EP disclosed
EP-1477165-A2 Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis Cornell Research Foundation, INC. (US) 2004-11-17 EP disclosed
US-6153615-A Blocking induction of tetrahydrobioterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 2000-11-28 US disclosed
US-5880124-A Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-03-09 US disclosed
US-5877176-A Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-03-02 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 (6 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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SPR, QDPR, SRR SPR 1/4885KDM4E 3528/4885ALDH1A1 788/4885
US-20130210826-A1 METHODS FOR TREATING PAIN SPR, QDPR, SHMT1 SPR 1/4885KDM4E 1344/4885ALDH1A1 1061/4885
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SPR, QDPR, SRR SPR 1/4885KDM4E 3528/4885ALDH1A1 788/4885
US-20110207753-A1 METHODS FOR TREATING PAIN SPR, QDPR, SHMT1 SPR 1/4885KDM4E 2785/4885ALDH1A1 998/4885
US-20050197341-A1 Methods for treating pain SPR, QDPR, SHMT1 SPR 1/4885KDM4E 2785/4885ALDH1A1 998/4885
US-10059664-B2 Sepiapterin reductase inhibitors for the treatment of pain SPR, QDPR, SRR SPR 1/4885KDM4E 3528/4885ALDH1A1 788/4885

“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.