SCHEMBL13063993

SCHEMBL13063993

COc1cccc(C(C=O)C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 1/20 0.37
NFE2L2 Q16236 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HRH1 P35367 1/20 0.36
ALOX5 P09917 2/20 0.36
IDH1 O75874 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
KDR P35968 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNB1 Q14721 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL21495104 0.84 CYP3A4 (0.38) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL21518211 0.81 BTK (0.38) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL179528 0.78 TAAR1 (0.42) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL8865877 0.76 CYP3A4 (0.45) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL21606271 0.76 TAAR1 (0.38) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL12915230 0.74 CYP3A4 (0.38) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL38661913 0.74 CYP3A4 (0.44) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL4196024 0.74 CYP3A4 (0.44) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL38661915 0.74 CYP3A4 (0.44) BTKCYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL20738487 0.74 TAAR1 (0.40) BTKCYP3A4CYP2D6SLC6A2SLC6A4

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-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 ASTRAZENECA AB (SE) 2010-12-30 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-20100331341-A1 2-CARBOXAMIDE-7-PIPERAZINYL-BENZOFURAN DERIVATIVES 774 C1R, HTR4, HTR2C BTK 1327/4885CYP3A4 14/4885CYP2D6 53/4885

“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.