SCHEMBL10165962

SCHEMBL10165962

COc1c(C)ccc2c1CCC2C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.47
ADRA2A P08913 1/20 0.47
SIRT1 Q96EB6 2/20 0.37
CYP1A2 P05177 1/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
FABP4 P15090 1/20 0.33
PARP1 P09874 1/20 0.33
GRM7 Q14831 1/20 0.33
PIN1 Q13526 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
SCHEMBL10165961 0.87 ADRA1A (0.46) ADRA1AADRA2ASIRT1CYP1A2PARP1
SCHEMBL559163 0.85 PARP1 (0.47) CYP1A2PARP1PIN1
SCHEMBL1847083 0.77 PIN1 (0.52) ADRA1AADRA2ACYP1A2PIN1
SCHEMBL20478665 0.77 PIN1 (0.52) ADRA1AADRA2ACYP1A2PIN1
SCHEMBL835462 0.76 ADRA1A (0.52) ADRA1AADRA2ACYP1A2PARP1GRM7
SCHEMBL10205808 0.73 PARP1 (0.47) CYP1A2PARP1PIN1
SCHEMBL9325738 0.72 CA1 (0.53)
SCHEMBL1844443 0.72 CA1 (0.53)
SCHEMBL559102 0.72 PARP1 (0.46) ADRA1ASIRT1CYP1A2PARP1PIN1
SCHEMBL11957278 0.72 ADRA2A (0.43) ADRA1AADRA2APARP1

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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ADRA1A 161/4885ADRA2A 273/4885SIRT1 539/4885

“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.