SCHEMBL23933599

SCHEMBL23933599

O=C(O)N1C[C@H]2C[C@H](Nc3nnc(Cl)cc3C(F)(F)F)C[C@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
JAK1 P23458 6/20 0.38
JAK2 O60674 3/20 0.38
SSTR4 P31391 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
RBP4 P02753 9/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 3/20 0.36
AURKA O14965 4/20 0.34
AURKB Q96GD4 2/20 0.34
IL1B P01584 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL23933595 1.00 GRIN2B (0.39) GRIN2BJAK1JAK2SSTR4JUN
SCHEMBL23933602 1.00 GRIN2B (0.39) GRIN2BJAK1JAK2SSTR4JUN
SCHEMBL23956998 0.85 NR1H2 (0.41) GRIN2BJAK1JAK2SSTR4AURKA
SCHEMBL25626701 0.85 NR1H2 (0.41) GRIN2BJAK1JAK2SSTR4AURKA
SCHEMBL30455703 0.85 NR1H2 (0.41) GRIN2BJAK1JAK2SSTR4AURKA
SCHEMBL23499504 0.84 JAK1 (0.34) JAK1JAK2AURKAAURKBFLT3
SCHEMBL23933533 0.83 JAK1 (0.41) JAK1JAK2SSTR4AURKA
SCHEMBL23933530 0.83 JAK1 (0.41) JAK1JAK2SSTR4AURKA
SCHEMBL23933526 0.83 JAK1 (0.41) JAK1JAK2SSTR4AURKA
SCHEMBL23499503 0.82 JAK1 (0.39) GRIN2BJAK1JAK2AURKAAURKB

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-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
EP-4139303-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 EP disclosed
WO-2021216951-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 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 (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-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 GRIN2B 151/4885JAK1 3042/4885JAK2 2464/4885

“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.