SCHEMBL1740285

SCHEMBL1740285

Fc1cccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
OPRL1 P41146 3/20 0.45
SCN9A Q15858 1/20 0.41
ACHE P22303 1/20 0.40
USP2 O75604 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MGLL Q99685 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
IDO1 P14902 1/20 0.38

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 SCHEMBL9596992 0.94 SCN9A (0.45) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL10848810 0.86 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3OPRM1OPRK1
SCHEMBL1769006 0.85 SLC6A3 (0.46) SLC6A4SLC6A2SLC6A3OPRM1SCN9A
SCHEMBL795699 0.84 ACHE (0.45) OPRM1OPRD1OPRK1OPRL1SCN9A
SCHEMBL9596460 0.83 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL9596721 0.83 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL1925083 0.83 OPRM1 (0.52) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL1740319 0.83 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL72584 0.82 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL20068832 0.81 HRH3 (0.50) SLC6A4SLC6A2SLC6A3MGLLABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
EP-1261602-A1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-04 EP disclosed
EP-1228065-A1 (INDOL-3-YL)-CYCLOALKYL]-3-SUBSTITUTED AZETIDINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Wyeth (US) 2002-08-07 EP disclosed
WO-2001066540-A1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-09-13 WO disclosed
US-6245799-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORP 2001-06-12 US disclosed
WO-2001034598-A1 [(INDOL-3-YL)-CYCLOALKYL]-3-SUBSTITUTED AZETIDINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WYETH (US) 2001-05-17 WO disclosed
EP-0131435-B1 PROCESS FOR PREPARING 3-PHENOXY-1-AZETIDINES AND CARBOXAMIDE DERIVATIVES A.H. ROBINS COMPANY, INCORPORATED (US) 1987-10-07 EP disclosed
US-4594189-A Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A. H. ROBINS COMPANY, INC. (US) 1986-06-10 US disclosed
EP-0131435-A1 Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A.H. ROBINS COMPANY, INCORPORATED (US) 1985-01-16 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 (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-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A SLC6A4 640/4885SLC6A2 411/4885SLC6A3 122/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A SLC6A4 640/4885SLC6A2 411/4885SLC6A3 122/4885

“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.