SCHEMBL10246888

SCHEMBL10246888

COc1cc(C2CCCC2)ccc1CN

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
PDE4B Q07343 9/20 0.46
PDE4A P27815 4/20 0.46
PDE4C Q08493 4/20 0.46
PDE4D Q08499 4/20 0.46
QDPR P09417 2/20 0.43
HTR1D P28221 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
VEGFA P15692 1/20 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
SCHEMBL20155928 0.82 PDE4A (0.47) HTR2APDE4BPDE4APDE4CPDE4D
SCHEMBL20073697 0.78 QDPR (0.46) HTR2APDE4BPDE4APDE4CPDE4D
SCHEMBL11719342 0.78 MEN1 (0.45) HTR2APDE4BPDE4APDE4CPDE4D
SCHEMBL11487284 0.78 MEN1 (0.51) HTR2APDE4BPDE4APDE4CPDE4D
SCHEMBL9325871 0.78 PDE4A (0.59) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL27715450 0.77 ALDH1A1 (0.48) HTR2APDE4BPDE4APDE4CPDE4D
SCHEMBL19695469 0.76 ALDH1A1 (0.40)
SCHEMBL9188312 0.75 NR3C1 (0.60) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL11477940 0.75 FFAR4 (0.48) PDE4BPDE4APDE4CPDE4DQDPR
SCHEMBL20073494 0.75 ALDH1A1 (0.50) HTR2APDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148536-B2 Comestible compositions comprising high potency savory flavorants, and processes for producing them SENOMYX, INC. (US) 2012-04-03 US disclosed
US-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. 2009-11-12 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-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM TAS1R1, TAS1R2, GRM1 HTR2A 708/4885PDE4B 2563/4885PDE4A 2530/4885

“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.