SCHEMBL21848980

SCHEMBL21848980

CC(C)(C)c1cncc(-n2cnnc2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 17/20 0.35
CYP11B1 P15538 14/20 0.35
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
AMY1A P0DUB6 1/20 0.32
PKM P14618 1/20 0.32
CYP19A1 P11511 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 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
SCHEMBL10183719 0.78 CYP2E1 (0.51) CYP2C9CYP1A2CYP19A1
SCHEMBL19397285 0.75 NOTUM (0.47)
SCHEMBL21849215 0.74 NOTUM (0.37) CYP2C9CYP1A2AMY1APKMGABRA1
SCHEMBL21863404 0.74 CHRNB2 (0.40) CYP11B2CYP11B1CYP2C9CYP1A2
SCHEMBL823824 0.73 GABRA1 (0.46) PKMCYP19A1GABRA1GABRB2
SCHEMBL24656661 0.73 NR2E1 (0.44) CYP2C9CYP1A2AMY1APKMGABRA1
SCHEMBL21849238 0.73 CYP1A2 (0.33) CYP11B2CYP11B1CYP2C9CYP1A2AMY1A
SCHEMBL21849237 0.73 OPRD1 (0.44) CYP2C9CYP1A2AMY1APKM
SCHEMBL21848986 0.73 CYP11B2 (0.38) CYP11B2CYP11B1CYP2C9CYP19A1
SCHEMBL19728977 0.73 CYP2A6 (0.46) CYP11B2CYP11B1CYP2C9CYP1A2

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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (2 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1907/4885CYP11B1 1560/4885CYP2C9 773/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1907/4885CYP11B1 1560/4885CYP2C9 773/4885

“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.