SCHEMBL24656138

SCHEMBL24656138

COc1cc(-n2cnnc2)cc(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ALDH1A1 P00352 2/20 0.34
AMY1A P0DUB6 2/20 0.33
PKM P14618 1/20 0.33
NR1I2 O75469 1/20 0.33
MAPT P10636 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
RIPK2 O43353 1/20 0.33
CYP1B1 Q16678 1/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 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
SCHEMBL278798 0.76 ALDH1A1 (0.61) CYP1A2CYP2C9CA1CA2ALDH1A1
SCHEMBL3807248 0.76 ALDH1A1 (0.53) CYP1A2CYP2C9CA1CA2ALDH1A1
SCHEMBL24656152 0.76 CYP1A2 (0.42) CYP1A2CYP2C9CYP11B1CYP11B2ALDH1A1
SCHEMBL21849215 0.76 NOTUM (0.37) CYP1A2CYP2C9TSHRCA2ALDH1A1
SCHEMBL21849237 0.74 OPRD1 (0.44) CYP1A2CYP2C9AMY1APKMNOTUM
SCHEMBL21849238 0.74 CYP1A2 (0.33) CYP1A2CYP2C9CYP11B1CYP11B2AMY1A
SCHEMBL24656661 0.74 NR2E1 (0.44) CYP1A2CYP2C9AMY1APKMNOTUM
SCHEMBL21894129 0.74 CYP1A2 (0.55) CYP1A2CYP2C9TSHRCYP11B1CYP11B2
SCHEMBL11417007 0.72 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCA1CA2
SCHEMBL18125618 0.72 CYP2C9 (0.52) CYP1A2CYP2C9TSHRALDH1A1AMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (3 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885TSHR 909/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885TSHR 909/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885TSHR 909/4885

“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.