SCHEMBL9607538

SCHEMBL9607538

Cn1ncc(C(C)(C)C)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 1/20 0.33
MPO P05164 1/20 0.32
LRRK2 Q5S007 2/20 0.31
PDE2A O00408 1/20 0.30

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
SCHEMBL24483790 0.87 CYP11B2 (0.45) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL12253238 0.85 CYP11B2 (0.32) CYP11B2MEN1KMT2A
SCHEMBL22952638 0.83 CYP11B2 (0.39) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL14706713 0.78 TRPA1 (0.32) MEN1KMT2ATRPA1
SCHEMBL16705383 0.77 CYP11B2 (0.44) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL10183419 0.76 MAPK1 (0.37) CYP11B2KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL21719514 0.74
SCHEMBL12121231 0.74 CYP11B2 (0.45) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL21241219 0.74 LRRK2 (0.45) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL10183724 0.74 LRRK2 (0.36) CYP1A2ALDH1A1LRRK2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US disclosed
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-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
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-8507490-B2 Tetrasubstituted pyridazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-08-13 US disclosed
US-8507490-B2 Tetrasubstituted pyridazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2013-08-13 US disclosed
US-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20110263602-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-10-27 US disclosed
US-20110263602-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-10-27 US disclosed
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof SINOCHEM CORPORATION 2011-02-24 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (13 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CYP11B2 1428/4885KDM4E 3386/4885CYP1A2 980/4885
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof ACHE, MGAM, PGLS CYP11B2 3569/4885KDM4E 371/4885CYP1A2 1378/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1579/4885KDM4E 2437/4885CYP1A2 540/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1907/4885KDM4E 2800/4885CYP1A2 767/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP11B2 462/4885KDM4E 3365/4885CYP1A2 424/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1579/4885KDM4E 2437/4885CYP1A2 540/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR CYP11B2 591/4885KDM4E 2294/4885CYP1A2 456/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP11B2 649/4885KDM4E 3568/4885CYP1A2 634/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP11B2 1907/4885KDM4E 2800/4885CYP1A2 767/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP11B2 643/4885KDM4E 3494/4885CYP1A2 618/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH CYP11B2 681/4885KDM4E 2066/4885CYP1A2 996/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP11B2 1579/4885KDM4E 2437/4885CYP1A2 540/4885
US-20110263602-A1 TETRASUBSTITUTED PYRIDAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, SMO, GLI1 CYP11B2 4588/4885KDM4E 702/4885CYP1A2 4600/4885

“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.