SCHEMBL14740295

SCHEMBL14740295

COc1cc2c(cc1OCc1ccccc1)C(C)N(C)CC2

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.67
CHRNA7 P36544 2/20 0.63
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
HTR1A P08908 1/20 0.58
HTR7 P34969 1/20 0.58

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
SCHEMBL14740318 0.86 CHRNA7 (0.58) MAOACHRNA7HTR2AHTR2CHTR2B
SCHEMBL30585089 0.83 LMNA (0.79)
SCHEMBL9585990 0.83 LMNA (0.79)
SCHEMBL19888927 0.83 MAOA (0.97) MAOA
SCHEMBL1760713 0.83 MAOA (0.97) MAOA
SCHEMBL29382740 0.83 MAOA (0.97) MAOA
SCHEMBL3051846 0.82 CHRNA7 (0.54) CHRNA7HTR2AHTR2CHTR2BHTR1A
SCHEMBL8747137 0.81 CHRNA7 (0.54) CHRNA7HTR2AHTR2CHTR2BHTR1A
SCHEMBL3057093 0.81 HCRTR1 (0.54) CHRNA7
SCHEMBL17821646 0.81 CHRNA7 (0.52) MAOACHRNA7HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552028-B2 8-phenylisoquinolines and pharmaceutical composition used in treatment for sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-10-08 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 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 (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-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 MAOA 2770/4885CHRNA7 2982/4885HTR2A 2413/4885

“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.