SCHEMBL23858698

SCHEMBL23858698

C[C@@H]1NCCc2c1nn(C)c2-c1cnn(C)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 1/20 0.33
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
SCHEMBL23858702 1.00 CYP11B2 (0.39) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL29324515 0.83 CYP11B2 (0.34) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL28910020 0.79 IDH1 (0.37) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL23872173 0.79 IDH1 (0.37) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL27075705 0.78 IDH1 (0.36) CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL23858859 0.77 NR3C1 (0.33)
SCHEMBL23858863 0.77 NR3C1 (0.33)
SCHEMBL23872222 0.76 CYP11B2 (0.40) CYP11B2KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL23858595 0.75 ALOX5 (0.36) KDM4EALDH1A1
SCHEMBL23858808 0.75 ALDH1A1 (0.33) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335378-B Monoacylglycerol lipase modulators 詹森药业有限公司 2025-03-04 CN disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-11891387-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2024-02-06 US disclosed
EP-4126860-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed
US-20220372030-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-11-24 US disclosed
CN-115335378-A Monoacylglycerol lipase modulators 詹森药业有限公司 2022-11-11 CN disclosed
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO 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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP11B2 462/4885KDM4E 3365/4885CYP1A2 424/4885
US-11891387-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP11B2 462/4885KDM4E 3365/4885CYP1A2 424/4885
US-20220372030-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP11B2 462/4885KDM4E 3365/4885CYP1A2 424/4885

“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.