SCHEMBL4630666

SCHEMBL4630666

O=C(N1CCCC1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.79
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TSHR P16473 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.58
AKT1 P31749 1/20 0.52
OPRM1 P35372 1/20 0.51
HDAC1 Q13547 1/20 0.48
AKR1C1 Q04828 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
Water SCHEMBL6544001 0.98 HSD11B1 (0.77) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL2479508 0.98 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
Water SCHEMBL6544000 0.98 HSD11B1 (0.77) HSD11B1MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6161721 0.98 HSD11B1 (0.77) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL6543280 0.98 HSD11B1 (0.79) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL6544495 0.97 HSD11B1 (0.73) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3129900 0.89 HSD11B1 (1.00) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL18390858 0.88 MEN1 (0.69) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL11081075 0.88 MEN1 (0.74) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL11088640 0.87 HSD11B1 (0.73) HSD11B1MEN1KMT2AALDH1A1LMNA

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 31 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-1019373-B1 1-ACYL-3-PHENYL-3-(3-PIPERIDINOPROPYL)PIPERIDINE DERIVATIVES AS HUMAN NK3 RECEPTOR SELECTIVE ANTAGONISTS SANOFI SYNTHELABO (FR) 2003-11-12 EP disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
CN-1089764-C Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHESIZING LAB (FR) 2002-08-28 CN 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
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-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 US disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP 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-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO 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 (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 HSD11B1 1296/4885MEN1 2993/4885KMT2A 2018/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 HSD11B1 1296/4885MEN1 2993/4885KMT2A 2018/4885

“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.