SCHEMBL25625880

SCHEMBL25625880

Cc1cnc(N[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.48
▸ JAK1 P23458 4/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ F13A1 P00488 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ TGM1 P22735 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CCNK O75909 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38

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
SCHEMBL30456196 0.89 NR1H2 (0.47) NR1H2JAK1JAK2AURKAFLT3
SCHEMBL23956891 0.89 NR1H2 (0.47) NR1H2JAK1JAK2AURKAFLT3
SCHEMBL25631510 0.86 NR1H2 (0.46) NR1H2JAK1F13A1TGM2TGM1
SCHEMBL28549570 0.83 USP30 (0.53) JAK1USP30MAPK1ALDH1A1CCNK
SCHEMBL22895509 0.83 USP30 (0.53) JAK1USP30MAPK1ALDH1A1CCNK
SCHEMBL23292240 0.83 USP30 (0.53) JAK1USP30MAPK1ALDH1A1CCNK
SCHEMBL30914985 0.82 ALDH1A1 (0.56) JAK1GPR119USP30MAPK1DDB1
SCHEMBL25631499 0.82 NR1H2 (0.47) NR1H2JAK1JAK2AURKAFLT3
SCHEMBL30456213 0.79 HDAC1 (0.43) JAK1JAK2AURKAFLT3AURKB
SCHEMBL23963986 0.79 HDAC1 (0.43) JAK1JAK2AURKAFLT3AURKB

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 2 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
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 — — 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 (2 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-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1H2 518/4885JAK1 3243/4885JAK2 2304/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 NR1H2 498/4885JAK1 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.

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