SCHEMBL795699

SCHEMBL795699

Fc1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
SCN9A Q15858 1/20 0.41
NAAA Q02083 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
ALOX5 P09917 1/20 0.40

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
Oxalic Acid SCHEMBL9596772 0.93 ATM (0.51) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL1769006 0.89 SLC6A3 (0.46) ACHEOPRM1SCN9ANAAAMEN1
SCHEMBL4311250 0.86 ACHE (0.43) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL518041 0.86 NAAA (0.56) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL10808078 0.84 OPRM1 (0.44) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL6584924 0.84 CHRM2 (0.49) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL9596982 0.84 OPRM1 (0.44) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL10804626 0.84 OPRM1 (0.52) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL1741828 0.84 ACHE (0.48) ACHEOPRM1OPRD1OPRK1OPRL1
SCHEMBL1740285 0.84 SLC6A4 (0.47) ACHEOPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
CN-102292340-B Amino-heterocyclic compounds used as pde9 inhibitors PFIZER 2015-05-06 CN disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
US-8895733-B2 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-11-25 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
WO-2003007939-A1 AZETIDINE DERIVATIVES AND THEIR USE AS CCR3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-01-30 WO disclosed
EP-1196166-A1 AZETIDINE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2002-04-17 EP disclosed
WO-2001007043-A1 AZETIDINE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2001-02-01 WO disclosed
EP-1049671-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 2000-11-08 EP disclosed
WO-1999037614-A1 AZETIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS VERNALIS RESEARCH LIMITED (GB) 1999-07-29 WO disclosed
US-5183902-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1993-02-02 US disclosed
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 US disclosed
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US disclosed
US-4956359-A CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES A. H. ROBINS COMPANY, INC. (US) 1990-09-11 US disclosed
US-4031221-A ANALGESICS, TRANQUILIZERS, INDOLE COMPOUNDS AMERICAN HOECHST CORPORATION (US) 1977-06-21 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 (2 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 ACHE 260/4885OPRM1 4/4885OPRD1 2/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A ACHE 26/4885OPRM1 3328/4885OPRD1 1809/4885

“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.