SCHEMBL2969711

SCHEMBL2969711

COc1ccc(N(Cc2ccc3ccccc3n2)C2=CC(=O)CC2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.47
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
PDE4D Q08499 13/20 0.39
PDE4B Q07343 13/20 0.39
PDE4C Q08493 12/20 0.39

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
SCHEMBL2970111 0.90 PDE4B (0.39) PDE4AHCRTR1HCRTR2PDE4DPDE4B
SCHEMBL2978945 0.85 PDE4A (0.45) PDE4AHCRTR1HCRTR2PDE4DPDE4B
SCHEMBL2978219 0.85 PDE4B (0.42) PDE4AHCRTR1HCRTR2PDE4DPDE4B
SCHEMBL2981390 0.84 PDE4A (0.44) PDE4AHCRTR1HCRTR2PDE4DPDE4B
SCHEMBL2978983 0.84 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL2976024 0.84 PDE4A (0.50) PDE4APDE4DPDE4BPDE4C
SCHEMBL2981057 0.84 PDE4A (0.44) PDE4AHCRTR1HCRTR2PDE4DPDE4B
SCHEMBL2976079 0.83 PDE4A (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL2977973 0.81 PDE4A (0.52) PDE4APDE4DPDE4BPDE4C
SCHEMBL2978249 0.81 PDE4B (0.46) PDE4APDE4DPDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772258-B2 Agent for treatment of allergic eye disease NIKKEN CHEMICALS CO., LTD. (JP) 2010-08-10 US disclosed
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE NIKKEN CHEMICALS CO., LTD. 2008-12-11 US disclosed
EP-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 EP disclosed
US-20040220227-A1 Remedies for allergic eye diseases NIKKEN CHEMICALS CO., LTD. (JP) 2004-11-04 US disclosed
EP-1410795-A1 REMEDIES FOR ALLERGIC EYE DISEASES Nikken Chemicals Company, Limited (JP) 2004-04-21 EP disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 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 (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-20040220227-A1 Remedies for allergic eye diseases HRH2, HRH1, HRH4 PDE4A 1663/4885HCRTR1 70/4885HCRTR2 181/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 PDE4A 2224/4885HCRTR1 28/4885HCRTR2 55/4885

“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.