SCHEMBL30456213

SCHEMBL30456213

CC(C)(C)OC(=O)N1C[C@H]2CC(Nc3ncc(-c4cc(F)ccc4Cl)cn3)C[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ CDK9 P50750 6/20 0.42
▸ CCNT1 O60563 4/20 0.42
▸ NTRK1 P04629 1/20 0.40
▸ JAK1 P23458 2/20 0.39
▸ AURKA O14965 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.39
▸ DGAT2 Q96PD7 3/20 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
SCHEMBL23963986 1.00 HDAC1 (0.43) HDAC1HDAC2CDK9CCNT1NTRK1
SCHEMBL23933505 0.85 HCRTR1 (0.41) JAK1AURKAJAK2FLT3AURKB
SCHEMBL23933503 0.85 HCRTR1 (0.41) JAK1AURKAJAK2FLT3AURKB
SCHEMBL23933509 0.85 HCRTR1 (0.41) JAK1AURKAJAK2FLT3AURKB
SCHEMBL25632552 0.82 CHRM4 (0.56) HDAC1HDAC2CDK9CCNT1NTRK1
SCHEMBL30403430 0.82 CHRM4 (0.56) HDAC1HDAC2CDK9CCNT1NTRK1
SCHEMBL23956976 0.82 CHRM4 (0.56) HDAC1HDAC2CDK9CCNT1NTRK1
SCHEMBL25625880 0.79 NR1H2 (0.48) JAK1AURKAJAK2FLT3AURKB
SCHEMBL25271235 0.78 CHRM2 (0.43) JAK1AURKAJAK2FLT3AURKB
SCHEMBL23963919 0.78 CHRM2 (0.43) JAK1AURKAJAK2FLT3AURKB

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 1 patent. 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

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 HDAC1 742/4885HDAC2 1217/4885CDK9 2112/4885

“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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