SCHEMBL4517253

SCHEMBL4517253

C[C@H](N)COc1cccc2cnccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
NR3C1 P04150 4/20 0.55
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 1/20 0.47
CACNA2D1 P54289 6/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
HTR2C P28335 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
NR2E1 Q9Y466 2/20 0.43
SCN4A P35499 3/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL27535690 0.87 KCNA3 (0.55) KCNA3NR3C1LMNACYP1A2CYP2D6
SCHEMBL29029003 0.82 NR2E1 (0.61) LMNACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11144866 0.81 KCNA3 (0.61) KCNA3NR3C1LMNACYP1A2CYP3A4
SCHEMBL5449325 0.78 KCNA3 (0.67) KCNA3NR3C1LMNACYP1A2CYP3A4
SCHEMBL21917569 0.78 CACNA2D1 (0.50) KCNA3NR3C1LMNACYP1A2CYP3A4
SCHEMBL94801 0.78 KCNA3 (0.61) KCNA3NR3C1LMNACYP1A2CYP3A4
SCHEMBL14251166 0.78 KCNA3 (0.61) KCNA3NR3C1LMNACYP1A2CYP3A4
SCHEMBL4519985 0.77 NR3C1 (0.48) KCNA3NR3C1LMNACYP1A2CYP3A4
SCHEMBL10576049 0.77 KCNA3 (0.69) KCNA3NR3C1LMNACYP1A2CYP3A4
SCHEMBL14861116 0.77 KCNA3 (0.65) KCNA3NR3C1LMNACYP1A2CYP3A4

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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 KCNA3 1704/4885NR3C1 1/4885LMNA 4666/4885

“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.