SCHEMBL4500344

SCHEMBL4500344

O=CN1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
CPB1 P15086 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
MGLL Q99685 2/20 0.55
HSD11B1 P28845 1/20 0.55
SLC18A3 Q16572 2/20 0.54
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.49

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
SCHEMBL28975834 0.85 POLB (0.57) HTR2ACPB1KMT2AMEN1MGLL
SCHEMBL4509082 0.85 HSD11B1 (0.65) HTR2AMGLLHSD11B1ALDH1A1
SCHEMBL6999520 0.85 MGLL (0.65) KMT2AMEN1MGLLHSD11B1LMNA
SCHEMBL27892705 0.85 KMT2A (0.65) KMT2AMEN1MGLLHSD11B1KCNH2
SCHEMBL28087584 0.84 HTR2A (0.55) HTR2ACPB1KMT2AMEN1MGLL
SCHEMBL324342 0.80 HTR2A (0.56) HTR2ACPB1KMT2AMEN1MGLL
SCHEMBL18428493 0.80 HTR2A (0.56) HTR2ACPB1KMT2AMEN1MGLL
SCHEMBL16653897 0.80 HTR2A (0.62) HTR2ACPB1KMT2AMEN1MGLL
SCHEMBL11398586 0.80 HTR2A (0.58) HTR2ACPB1KMT2AMEN1MGLL
SCHEMBL462944 0.80 MGLL (0.60) HTR2ACPB1KMT2AMEN1MGLL

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 37 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
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
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
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 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-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP 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
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 HTR2A 3081/4885CPB1 128/4885KMT2A 1919/4885
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 HTR2A 126/4885CPB1 3536/4885KMT2A 3625/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE HTR2A 4049/4885CPB1 80/4885KMT2A 1482/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A HTR2A 3261/4885CPB1 120/4885KMT2A 1771/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 HTR2A 249/4885CPB1 4557/4885KMT2A 1233/4885

“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.