SCHEMBL4500340

SCHEMBL4500340

O=[C]N1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HTR2A P28223 1/20 0.55
CPB1 P15086 1/20 0.55
HSD11B1 P28845 1/20 0.54
SLC18A3 Q16572 2/20 0.52
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL462944 0.86 MGLL (0.60) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL4509080 0.83 HSD11B1 (0.65) MGLLHTR2AHSD11B1
SCHEMBL463641 0.79 MGLL (0.54) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL18428493 0.79 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL324342 0.79 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL11398586 0.79 HTR2A (0.58) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL2556107 0.79 CPB1 (0.67) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL2552838 0.79 HTR2A (0.62) MGLLKMT2AMEN1HTR2ACPB1
SCHEMBL1720183 0.77 MGLL (0.82) MGLLKMT2AMEN1CPB1HSD11B1
SCHEMBL4500344 0.77 HTR2A (0.56) MGLLKMT2AMEN1HTR2ACPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US claimed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
CN-1572299-A Medicine for improving excretion capacity of bladder TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-02 CN claimed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US claimed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US claimed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP claimed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US claimed
CN-1328451-A Medicine for improving excretion capacity of bladder TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-26 CN claimed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP claimed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
CN-1328451-A Medicine for improving excretion capacity of bladder TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-26 CN disclosed
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 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 (5 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-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MGLL 988/4885KMT2A 1919/4885MEN1 3293/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MGLL 902/4885KMT2A 1482/4885MEN1 3760/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR MGLL 3283/4885KMT2A 2960/4885MEN1 4302/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MGLL 1061/4885KMT2A 1771/4885MEN1 3303/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 MGLL 1993/4885KMT2A 1233/4885MEN1 3436/4885

“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.