SCHEMBL6544206

SCHEMBL6544206

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

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.97
RECQL P46063 1/20 0.75
HSD17B10 Q99714 1/20 0.56
PREP P48147 2/20 0.55
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
EPHX1 P07099 1/20 0.54
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
GPR119 Q8TDV5 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
SCHEMBL3164197 0.98 HPGD (1.00) HPGDRECQLHSD17B10PREPABL1
SCHEMBL493585 0.97 HPGD (0.91) HPGDRECQLHSD17B10PREPABL1
SCHEMBL4404176 0.91 HPGD (0.81) HPGDRECQLHSD17B10PREPABL1
SCHEMBL2146664 0.90 HPGD (0.85) HPGDRECQLHSD17B10PREPABL1
SCHEMBL20521035 0.90 HPGD (0.85) HPGDRECQLHSD17B10PREPABL1
SCHEMBL2673507 0.90 HPGD (0.85) HPGDRECQLHSD17B10PREPABL1
SCHEMBL2673511 0.90 HPGD (0.85) HPGDRECQLHSD17B10PREPABL1
SCHEMBL26125044 0.90 HPGD (0.79) HPGDRECQLHSD17B10PREPEPHX1
SCHEMBL3919189 0.89 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL13060184 0.89 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PTPN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4506344-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF Bebetter Med Inc. (CN) 2025-02-12 EP disclosed
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF BEBETTER MED INC. (CN) 2025-01-30 US disclosed
CN-116615417-B 1, 4-Diheterocyclic group substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2024-05-14 CN disclosed
WO-2023185821-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-10-05 WO disclosed
CN-116615417-A 1, 4-diheterocycle substituted aromatic ring or aromatic heterocyclic compound and application thereof 广州必贝特医药股份有限公司 2023-08-18 CN disclosed
WO-2008131050-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-30 WO 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
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-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
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
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 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

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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 HPGD 2080/4885RECQL 4292/4885HSD17B10 3139/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 HPGD 2080/4885RECQL 4292/4885HSD17B10 3139/4885
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF CYP46A1, CYP4A22, CYP2C19 HPGD 79/4885RECQL 2970/4885HSD17B10 55/4885

“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.