SCHEMBL10128097

SCHEMBL10128097

COc1ccc2c(n1)N(C1COC(C)(C)OC1)C(=O)CN2C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.34
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL10155157 0.78 NPC1 (0.44) HTR2CP2RX3
SCHEMBL334990 0.77 OPRL1 (0.41) OPRL1HTR2AHTR2CHTR2BP2RX3
SCHEMBL10128095 0.67 MTNR1A (0.30)
SCHEMBL336617 0.65 CYP1A2 (0.48) P2RX3
SCHEMBL21372386 0.62
SCHEMBL8304233 0.61 ALDH1A1 (0.47) OPRL1
SCHEMBL586455 0.60 OPRL1 (0.47) OPRL1HTR2AHTR2CHTR2B
SCHEMBL20746470 0.59 TSHR (0.41)
SCHEMBL1431312 0.58 JAK2 (0.34) HTR2C
SCHEMBL15979065 0.58 KCNH2 (0.43) HTR2AHTR2CHTR2B

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-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials GLAXO GROUP LIMITED (GB) 2011-03-24 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB OPRL1 2350/4885HTR2A 4096/4885HTR2C 3102/4885
US-20110071155-A1 Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYCS OPRL1 370/4885HTR2A 3108/4885HTR2C 1037/4885

“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.