SCHEMBL4630789

SCHEMBL4630789

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC2)(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.65
▸ TSHR P16473 3/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TACR1 P25103 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2477283 0.99 HSD11B1 (0.66) HSD11B1TSHRALOX15ATMMEN1
SCHEMBL2269271 0.89 SMN1; SMN2 (0.63) HSD11B1TSHRALOX15ATMMEN1
SCHEMBL972474 0.87 TSHR (0.65) HSD11B1TSHRALOX15ATMKMT2A
SCHEMBL13543984 0.85 TSHR (0.64) HSD11B1TSHRALOX15ATMKMT2A
SCHEMBL6543685 0.85 TSHR (0.70) HSD11B1TSHRALOX15ATMTACR1
SCHEMBL6543780 0.84 TSHR (0.63) HSD11B1TSHRALOX15ATMKMT2A
SCHEMBL6543732 0.84 TSHR (0.80) HSD11B1TSHRALOX15ATMALDH1A1
SCHEMBL971790 0.83 TSHR (0.65) HSD11B1TSHRALOX15ATMMEN1
SCHEMBL1309331 0.82 TSHR (0.60) TSHRALOX15ATMTACR1OPRD1
SCHEMBL5415030 0.82 TSHR (0.60) HSD11B1TSHRALOX15ATMSMN1; SMN2

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 30 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
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-5939411-A PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES SANOFI (FR) 1999-08-17 — — US disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 — — US disclosed
US-5830906-A Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them SANOFI (FR) 1998-11-03 — — 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
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
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-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 1296/4885TSHR 487/4885ALOX15 2136/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 HSD11B1 1296/4885TSHR 487/4885ALOX15 2136/4885

“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.

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