SCHEMBL13475331

SCHEMBL13475331

CCC(C)(O)c1cncn1C1c2ccccc2CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.38
CYP11B2 P19099 1/20 0.33
ADRA2A P08913 3/20 0.32
ADRA2B P18089 3/20 0.32
ADRA2C P18825 3/20 0.32
ADRA1B P35368 3/20 0.32
CYP3A4 P08684 2/20 0.31
TDO2 P48775 2/20 0.31

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
SCHEMBL2821134 0.90 IDO1 (0.36) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL2818680 0.88 IDO1 (0.38) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL2817993 0.83 IDO1 (0.36) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL2819540 0.83 IDO1 (0.36) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL2821143 0.78 CYP11B2 (0.35) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL2816867 0.77 CYP11B2 (0.47) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL10517236 0.76 ADRA2A (0.36) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL9804895 0.76 CYP11B2 (0.42) IDO1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL2819431 0.74 IDO1 (0.37) IDO1ADRA2AADRA2BADRA2CADRA1B
SCHEMBL2817745 0.74 IDO1 (0.37) IDO1ADRA2AADRA2BADRA2CADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 IDO1 1361/4885CYP11B2 6/4885ADRA2A 799/4885

“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.