SCHEMBL14280506

SCHEMBL14280506

Cc1cc(C(C)C)cc2c1NC(=O)OC2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL13052359 0.76 GRIA1 (0.41) HTR2AHTR2CHTR2BADRA2AADRA2B
SCHEMBL13052361 0.74 KIF11 (0.41) KCNH2HTR2AHTR2CHTR2BCYP11B1
SCHEMBL14827574 0.73 KCNH2 (0.50) KCNH2HPGDGFERHSD17B10CYP11B1
SCHEMBL14280507 0.73 PDE3B (0.36) KCNH2HTR2AHTR2CHTR2BADRA2A
SCHEMBL14280509 0.72 MMP12 (0.43)
SCHEMBL13052362 0.72 BRD4 (0.39) KCNH2HTR2AHTR2CHTR2BADRA2A
SCHEMBL16941391 0.71 CYP11B1 (0.35) KCNH2HPGDGFERHSD17B10CYP11B1
SCHEMBL436140 0.70 HTR5A (0.44) HPGDHSD17B10CYP11B1CYP11B2
SCHEMBL20364332 0.70 HPGD (0.43) KCNH2HPGDGFERHSD17B10CYP11B1
SCHEMBL13052357 0.69 ADRA2A (0.33) ADRA2AADRA2BADRA2CADRA1DHTR1D

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-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 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-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL KCNH2 356/4885HTR2A 291/4885HTR2C 383/4885

“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.