SCHEMBL17022083

SCHEMBL17022083

Cc1cccc2c1CCCC2NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.49
TAS1R1 Q7RTX1 6/20 0.49
TAS1R2 Q8TE23 6/20 0.49
LMNA P02545 2/20 0.44
TRPV1 Q8NER1 1/20 0.42
USP2 O75604 1/20 0.42
DRD4 P21917 1/20 0.41
BTK Q06187 1/20 0.40

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
SCHEMBL22813952 0.94 TRPV1 (0.47) TAS1R3TAS1R1TAS1R2LMNATRPV1
SCHEMBL12669383 0.94 TRPV1 (0.47) TAS1R3TAS1R1TAS1R2LMNATRPV1
SCHEMBL28677537 0.89 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2DRD4
SCHEMBL22501388 0.89 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2DRD4
SCHEMBL24619645 0.88 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2LMNADRD4
SCHEMBL13974252 0.88 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2LMNADRD4
SCHEMBL13974108 0.88 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2LMNADRD4
SCHEMBL17018837 0.88 TRPV1 (0.45) TAS1R3TAS1R1TAS1R2LMNATRPV1
SCHEMBL29771900 0.88 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2LMNADRD4
SCHEMBL22501499 0.86 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 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-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 TAS1R3 1103/4885TAS1R1 945/4885TAS1R2 999/4885

“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.