SCHEMBL4178391

SCHEMBL4178391

O=C1Cc2ccccc2C2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.58
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
EPHX2 P34913 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL4175442 0.82 NPY5R (0.61) NPY5RHRH3TSHRCYP2C19CYP3A4
SCHEMBL4167043 0.82 NPY5R (0.59) NPY5RRAB9AHRH3LMNAMAPT
SCHEMBL6047733 0.82 NPY5R (0.54) NPY5RHRH3LMNAALDH1A1SMN1; SMN2
SCHEMBL4590976 0.77 NPY5R (0.57) NPY5RHRH3MAPTALDH1A1TSHR
SCHEMBL4176118 0.75 NPY5R (0.57) NPY5RMEN1KMT2AHRH3KCNH2
SCHEMBL4591273 0.74 NPY5R (0.59) NPY5RHRH3
SCHEMBL4174570 0.74 NPY5R (0.61) NPY5RNPC1RAB9AHRH3ALDH1A1
SCHEMBL4163528 0.74 NPY5R (0.68) NPY5RMEN1KMT2ANPC1RAB9A
SCHEMBL4165197 0.73 NPY5R (1.00) NPY5RHRH3
SCHEMBL22058383 0.73 CRBN (0.62) NPY5RHRH3ALDH1A1TP53HPGD

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-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP claimed
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP claimed
WO-2005000217-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO., INC. (US) 2005-01-06 WO claimed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 US claimed
EP-1204663-B1 NOVEL SPIRO COMPOUNDS WITH NEUROPEPTIDE Y ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2003-10-29 EP claimed
US-20030055251-A1 Novel spiro compounds MSD K.K. (JP) 2003-03-20 US claimed
US-20020165391-A1 Neuropeptide Y receptor antagonists MSD K.K. (JP) 2002-11-07 US claimed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US claimed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US claimed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
US-20070099884-A1 Combination therapy for the treatment of diabetes MERCK & CO., INC. 2007-05-03 US disclosed
US-20060160834-A1 Combination therapy for the treatment of hypertension MERCK & CO., INC. 2006-07-20 US disclosed
EP-1635813-A2 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA Merck & Co. Inc. (US) 2006-03-22 EP disclosed
US-20050288213-A1 Combination therapy for the treatment of obesity BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-12-29 US disclosed
US-6462053-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; CARDIOVASCULAR AND CENTRAL NERVOUS SYSTEM DISORDERS AND METABOLIC DISEASES; HYPERTENSION, NEPHROPATHY, HEART DISEASE, VASOSPASM, ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 US disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US 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 (8 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-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NPY5R 48/4885MEN1 467/4885KMT2A 3160/4885
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia LIPC, LIPA, LPL NPY5R 814/4885MEN1 4054/4885KMT2A 1627/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 NPY5R 34/4885MEN1 367/4885KMT2A 2996/4885
US-20070099884-A1 Combination therapy for the treatment of diabetes GPR119, FABP4, IAPP NPY5R 274/4885MEN1 3932/4885KMT2A 2807/4885
US-20050288213-A1 Combination therapy for the treatment of obesity NPY5R, NPY4R, NPY2R NPY5R 1/4885MEN1 3477/4885KMT2A 2648/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 NPY5R 43/4885MEN1 488/4885KMT2A 3193/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NPY5R 4/4885MEN1 609/4885KMT2A 2472/4885
US-20060160834-A1 Combination therapy for the treatment of hypertension FABP4, GPR119, HMGCR NPY5R 169/4885MEN1 2312/4885KMT2A 1437/4885

“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.