SCHEMBL4630573

SCHEMBL4630573

N#CC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.63
CYP3A4 P08684 2/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 8/20 0.53
OPRL1 P41146 3/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 1/20 0.50
CCR3 P51677 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MC4R P32245 1/20 0.46

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
SCHEMBL6636176 0.86 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL989783 0.86 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL9231786 0.86 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL14902471 0.84 OPRM1 (0.60) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL16915778 0.83 OPRM1 (0.58) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL4678353 0.82 MAOA (0.48) OPRM1OPRL1ALDH1A1TSHRCYP1A2
SCHEMBL14902458 0.82 MC4R (0.43) OPRM1MC4R
SCHEMBL18319632 0.82 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL12022949 0.81 OPRM1 (0.69) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL14387152 0.81 OPRM1 (0.56) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP disclosed
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 US disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 US disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 US disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
US-6291672-B1 FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION SANOFI-SYNTHELABO (FR) 2001-09-18 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
WO-1998018762-A1 NEW DERIVATIVES OF DIVERSELY SUBSTITUTED CYCLICAL AMIDE SELECTIVE ANTAGONISTS OF THE HUMAN RECEPTOR NK3, PROCESS FOR OBTAINING THEM, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-05-07 WO disclosed
US-5726313-A Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1998-03-10 US disclosed
US-5712288-A TACHYKININ ANTAGONIST, ANTIINFLAMMATORY, ANTIALLERGEN SANOFI (FR) 1998-01-27 US disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US 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
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed
EP-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO 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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 OPRM1 252/4885CYP3A4 1052/4885HSD17B10 3139/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 OPRM1 252/4885CYP3A4 1052/4885HSD17B10 3139/4885

“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.