SCHEMBL4795751

SCHEMBL4795751

COc1ccccc1CNCCCCN1C(=O)C2CCCN2C1=O

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.73
BCHE P06276 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
ACHE P22303 1/20 0.55

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
SCHEMBL5745423 0.91 HTR1A (0.75) HTR1A
SCHEMBL5744931 0.91 HTR1A (0.75) HTR1A
SCHEMBL5747759 0.91 HTR1A (0.75) HTR1A
SCHEMBL5744029 0.88 HTR1A (0.70) HTR1A
SCHEMBL4779140 0.85 HTR1A (0.98) HTR1A
SCHEMBL4725440 0.83 HTR1A (0.69) HTR1A
SCHEMBL4903903 0.82 HTR1A (0.98) HTR1A
SCHEMBL4778937 0.80 HTR1A (0.58) HTR1A
SCHEMBL4781752 0.80 HTR1A (0.57) HTR1A
SCHEMBL4725380 0.80 HTR1A (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US 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 2/4885BCHE 440/4885CHRM2 332/4885

“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.