SCHEMBL2879213

SCHEMBL2879213

O=C1NCNC12CCNCC2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.38
OPRM1 P35372 5/20 0.38
SLC6A5 Q9Y345 3/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
DRD2 P14416 1/20 0.37
OPRL1 P41146 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
Hydrochloric Acid SCHEMBL9037991 0.99 SIGMAR1 (0.39) SLC6A9OPRM1SLC6A5KCNH2SIGMAR1
SCHEMBL5556604 0.86 SLC6A3 (0.39) SLC6A9OPRM1DRD2
SCHEMBL8809000 0.86 SLC6A9 (0.40) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL9037246 0.78 SIGMAR1 (0.40) SLC6A9OPRM1SLC6A5KCNH2SIGMAR1
SCHEMBL7948840 0.76 SLC6A9 (0.33) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL8192173 0.74 SIGMAR1 (0.37) SLC6A9OPRM1SLC6A5KCNH2SIGMAR1
SCHEMBL20656301 0.72
SCHEMBL1138335 0.70 SLC6A9 (0.56) SLC6A9OPRM1SLC6A5KCNH2OPRL1
SCHEMBL15568523 0.70 TAAR1 (0.41) OPRM1SIGMAR1DRD2HSD17B10
SCHEMBL17135722 0.70 OPRM1 (0.44) OPRM1SIGMAR1DRD2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628978-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF Zealand Pharma A/S (DK) 2006-03-01 EP claimed
EP-1537110-A4 TRIAZOSPIRO COMPOUNDS HAVING NOCICEPTIN RECEPTOR AFFINITY EURO CELTIQUE SA (LU) 2005-06-08 EP claimed
EP-1537110-A2 TRIAZOSPIRO COMPOUNDS HAVING NOCICEPTIN RECEPTOR AFFINITY Euro-Celtique, S.A. (LU) 2005-06-08 EP claimed
WO-2004104004-A2 TRIAZA-SPIRO COMPOUNDS AS NOCICEPTIN ANALOGUES AND USES THEREOF ZEALAND PHARMA A/S (DK) 2004-12-02 WO claimed
WO-2001039723-A2 TRIAZOSPIRO COMPOUNDS HAVING NOCICEPTIN RECEPTOR AFFINITY EURO-CELTIQUE, S.A. (LU) 2001-06-07 WO claimed
US-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents ON TARGET THERAPEUTICS LLC (US) 2022-02-22 US disclosed
US-20190135882-A1 Methods and Systems for Designing and/or Characterizing Soluble Lipidated Ligand Agents ON TARGET THERAPEUTICS LLC 2019-05-09 US disclosed
US-8206593-B2 Adapted for on-chip solvent exchange; synthesis of radiopharmaceuticals such as FDG (fludeoxyglucose F18) for example FLUIDIGM CORPORATION (US) 2012-06-26 US disclosed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 WO disclosed
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
EP-1720874-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Bioaxone Therapeutique Inc. (CA) 2006-11-15 EP disclosed
US-20020193599-A1 Dihydropyridines and new uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-19 US disclosed
WO-2002083673-A1 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-24 WO disclosed
WO-2001094346-A1 1,3,8-TRIAZA-SPIRO'4,5!DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-12-13 WO disclosed
US-6172073-B1 BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS ELI LILLY AND COMPANY 2001-01-09 US disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed
EP-0273168-A1 Triazaspirodecanylmethylindolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-07-06 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-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents LDLR, HDLBP, LIPG SLC6A9 4573/4885OPRM1 1737/4885SLC6A5 4591/4885
US-20020193599-A1 Dihydropyridines and new uses thereof BPHL, BCKDK, DHCR7 SLC6A9 3491/4885OPRM1 311/4885SLC6A5 3245/4885
US-20190135882-A1 Methods and Systems for Designing and/or Characterizing Soluble Lipidated Ligand Agents LDLR, HDLBP, LIPG SLC6A9 4573/4885OPRM1 1737/4885SLC6A5 4591/4885
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A SLC6A9 733/4885OPRM1 264/4885SLC6A5 433/4885

“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.