SCHEMBL9596277

SCHEMBL9596277

CC(c1ccccc1)N1CC(O)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.61
MC4R P32245 1/20 0.53
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
OPRD1 P41143 1/20 0.49
CCR5 P51681 1/20 0.48
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KCNA3 P22001 1/20 0.42
HSD11B1 P28845 1/20 0.41
HPGD P15428 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL48088 1.00 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2916607 1.00 CYP2D6 (0.61) CYP2D6MC4ROPRM1OPRK1OPRL1
Ethane SCHEMBL9682617 0.98 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
Fumaric Acid SCHEMBL9596362 0.88 CYP2D6 (0.49) CYP2D6MC4ROPRM1OPRK1OPRL1
Maleic Acid SCHEMBL9596354 0.88 CYP2D6 (0.49) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL5275767 0.85 CYP2D6 (0.58) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL9137138 0.85 CYP2D6 (0.58) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL6097455 0.83 CYP2D6 (0.65) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2916278 0.82 HSD11B1 (0.46) CYP2D6OPRM1HSD11B1
SCHEMBL19614197 0.81 CYP2D6 (0.68) CYP2D6MC4ROPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US 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-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed
US-5096873-A Containign a support, color developer layer with a basic leuco dye in it; high density speed recording, image storage stability JUJO PAPER CO., LTD. (JP) 1992-03-17 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
EP-0194112-B1 3-ARYL-OXYAZETIDINECARBOXAMIDES HAVING ANTI-MUSCLE TENSION, ANTI-MUSCLE SPASTICITY, ANTICONVULSANT AND ANTIEPILECTIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-05-23 EP disclosed
EP-0102740-B1 N-FORMYL AND N-HYDROXYMETHYL-3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR PREPARATION AND USE A.H. ROBINS COMPANY, INCORPORATED (US) 1986-11-05 EP disclosed
US-4571393-A ANTICONVULSANT TREATMENT FOR MAMMALS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-18 US disclosed
US-4505907-A ANTICONVULSANTS A. H. ROBINS COMPANY, INC. (US) 1985-03-19 US disclosed
EP-0102740-A1 N-formyl and n-hydroxymethyl-3-phenoxy-1-azetidinecarboxamides and their preparation and use A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-14 EP disclosed
EP-0102194-A1 3-Phenoxy-1-azetidinecarboxamides and their use and preparation A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-07 EP disclosed
US-4379151-A 3-Phenoxyazetidines for anorexigenic activity A. H. ROBINS COMPANY, INC. (US) 1983-04-05 US disclosed
US-4324791-A DERIVATIVES OF 3,3-DIPHENYL-2-PYRROLIDINONES A. H. ROBINS COMPANY, INC. (US) 1982-04-13 US disclosed
US-4260606-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1981-04-07 US disclosed
US-4144245-A 4-Hydroxymethyl-2-pyrrolidinones A. H. ROBINS COMPANY, INC. (US) 1979-03-13 US disclosed
US-4133881-A Azetidinyl acetonitrile and acetamide antiarrhythmia compositions and methods A. H. ROBINS COMPANY, INCORPORATED (US) 1979-01-09 US disclosed
US-4120969-A ANALGETIC, ANTIDIARRHEAL ACTIVITY A. H. ROBINS COMPANY, INCORPORATED (US) 1978-10-17 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 (1 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-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 CYP2D6 4089/4885MC4R 4649/4885OPRM1 1485/4885

“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.