SCHEMBL23933533

SCHEMBL23933533

O=C(C1CCOCC1)N1C[C@H]2CC(Nc3nnc(Cl)cc3C(F)(F)F)C[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.41
AURKA O14965 1/20 0.41
EPHX2 P34913 4/20 0.40
NOTUM Q6P988 2/20 0.40
PIK3CD O00329 4/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
SOS1 Q07889 3/20 0.38
CNR2 P34972 3/20 0.38
JAK2 O60674 1/20 0.36
ATXN2 Q99700 1/20 0.35
SSTR4 P31391 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
SCHEMBL23933526 1.00 JAK1 (0.41) JAK1AURKAEPHX2NOTUMPIK3CD
SCHEMBL23933530 1.00 JAK1 (0.41) JAK1AURKAEPHX2NOTUMPIK3CD
SCHEMBL23499427 0.90 JAK1 (0.42) JAK1AURKAPIK3CDPIK3CAPIK3CB
SCHEMBL23499429 0.90 JAK1 (0.42) JAK1AURKAPIK3CDPIK3CAPIK3CB
SCHEMBL23499425 0.90 JAK1 (0.42) JAK1AURKAPIK3CDPIK3CAPIK3CB
SCHEMBL23499440 0.84 JAK1 (0.38) JAK1AURKAEPHX2NOTUMPIK3CD
SCHEMBL31119103 0.84 ATXN2 (0.45) JAK1AURKAEPHX2PIK3CDPIK3CA
SCHEMBL24575288 0.84 ATXN2 (0.45) JAK1AURKAEPHX2PIK3CDPIK3CA
SCHEMBL23933595 0.83 GRIN2B (0.39) JAK1AURKAJAK2SSTR4
SCHEMBL23933599 0.83 GRIN2B (0.39) JAK1AURKAJAK2SSTR4

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 JAK1 3042/4885AURKA 3296/4885EPHX2 1040/4885

“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.