SCHEMBL4631671

SCHEMBL4631671

CC(=O)N(C)C1(c2ccccc2)CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.73
OPRL1 P41146 15/20 0.73
OPRK1 P41145 2/20 0.48

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 SCHEMBL7478459 0.97 OPRM1 (0.69) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478467 0.97 OPRM1 (0.69) OPRM1OPRL1OPRK1
SCHEMBL7309717 0.84 OPRM1 (0.53) OPRM1OPRL1OPRK1
SCHEMBL7313869 0.84 OPRM1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL6543224 0.84 OPRM1 (0.53) OPRM1OPRL1OPRK1
SCHEMBL3410403 0.84 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL7514792 0.83 OPRM1 (0.56) OPRM1OPRL1OPRK1
SCHEMBL7312540 0.83 OPRM1 (0.51) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL6543281 0.82 OPRM1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL2834926 0.82 OPRM1 (0.72) OPRM1OPRL1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP claimed
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
US-7060836-B2 Lactams as tachykinin antagonists PFIZER, INC (US) 2006-06-13 US disclosed
US-7041679-B2 Crystalline forms of osanetant SANOFI-AVENTIS (FR) 2006-05-09 US disclosed
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP disclosed
EP-1456200-A1 LACTAMS AS TACHYKININ ANTAGONISTS Pfizer Limited (GB) 2004-09-15 EP disclosed
US-20040132710-A1 Lactams as tachkinin antagonists PFIZER INC. 2004-07-08 US disclosed
CN-1056605-C Compounds as selective antagonists of human tachykinin III receptor and uses thereof SANOFI CORP (FR) 2000-09-20 CN disclosed
EP-1019373-A1 NOVEL HUMAN NK 3? RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-07-19 EP disclosed
WO-2000007987-A1 CRYSTALLINE FORMS OF OSANETANT SANOFI-SYNTHELABO (FR) 2000-02-17 WO disclosed
US-5942523-A NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES SANOFI (FR) 1999-08-24 US disclosed
US-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 US disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 WO disclosed
CN-1128756-A Compounds as selective antagonists of the human tachykinin III receptor and uses thereof SANOFI CORP (FR) 1996-08-14 CN disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 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 (3 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885OPRL1 61/4885OPRK1 156/4885
US-20040132710-A1 Lactams as tachkinin antagonists PROKR1, TACR2, TACR1 OPRM1 66/4885OPRL1 31/4885OPRK1 15/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 OPRM1 703/4885OPRL1 61/4885OPRK1 156/4885

“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.