SCHEMBL4725641

SCHEMBL4725641

O=C1C2CCCN2C(=O)N1CCCCNCc1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.62

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
SCHEMBL5744408 0.91 HTR1A (0.63) HTR1A
SCHEMBL4779156 0.82 HTR1A (0.51) HTR1A
SCHEMBL4781457 0.82 HTR1A (0.57) HTR1A
SCHEMBL4725440 0.82 HTR1A (0.69) HTR1A
SCHEMBL4903670 0.79 HTR1A (0.54) HTR1A
SCHEMBL4905316 0.79 HTR1A (0.53) HTR1A
SCHEMBL4858098 0.77 HTR1A (0.98) HTR1A
SCHEMBL4859746 0.77 HTR1A (0.55) HTR1A
SCHEMBL5745908 0.76 HTR1A (0.52) HTR1A
SCHEMBL5769753 0.75 HTR1A (0.98) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422185-C Novel cycloalkandione derivatives, process for their preparation and their pharmaceutical use CEPA SCHWARZ PHARMA S L (ES) 2008-10-01 CN claimed
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US claimed
EP-1544201-B1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS CEPA SCHWARZ PHARMA S L (ES) 2006-06-28 EP claimed
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US disclosed
WO-2008015538-A2 USE OF DIAZA- AND THIAZA-CYCLOALKANEDIONES FOR PREVENTING AND/OR TREATING PAIN AND /OR MIGRAINE SCHWARZ PHARMA S.L. (ES) 2008-02-07 WO disclosed
EP-1544201-B1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS CEPA SCHWARZ PHARMA S L (ES) 2006-06-28 EP disclosed
US-20050250777-A1 Novel derivatives of cycloalcanodiones, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2005-11-10 US disclosed
EP-1544201-A1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS Cepa Schwarz Pharma s.l. (ES) 2005-06-22 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 (1 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-20050250777-A1 Novel derivatives of cycloalcanodiones, method for the production thereof and their pharmacological applications HTR3A, HTR1A, HTR5A HTR1A 2/4885

“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.