SCHEMBL1330004

SCHEMBL1330004

CCc1cccc(CC)c1-c1cc(OC2CCCC2)c(CN2CCOc3ccc(C)nc32)c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 17/20 0.40
HTR1D P28221 2/20 0.34
KLKB1 P03952 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL1328552 0.86 C5AR1 (0.35) C5AR1
SCHEMBL1329326 0.76 C5AR1 (0.42) C5AR1
SCHEMBL1329322 0.76 C5AR1 (0.42) C5AR1
SCHEMBL62176 0.76 PTGER3 (0.31) KLKB1
SCHEMBL1328727 0.74 C5AR1 (0.43) C5AR1
SCHEMBL1327625 0.74 C5AR1 (0.41) C5AR1KLKB1
SCHEMBL1327695 0.73 DRD2 (0.43) C5AR1HTR1AHTR1B
SCHEMBL1328538 0.73 DRD2 (0.43) C5AR1HTR1AHTR1B
SCHEMBL1327693 0.73 DRD2 (0.43) C5AR1HTR1AHTR1B
SCHEMBL1327506 0.72 C5AR1 (0.42) C5AR1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 C5AR1 2/4885HTR1D 276/4885KLKB1 1738/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885HTR1D 276/4885KLKB1 1738/4885

“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.