SCHEMBL23933509

SCHEMBL23933509

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.41
▸ HCRTR2 O43614 3/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ CHRM2 P08172 2/20 0.40
▸ CHRM4 P08173 2/20 0.40
▸ JAK1 P23458 5/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ PTGDR2 Q9Y5Y4 6/20 0.38
▸ AURKA O14965 3/20 0.37
▸ MAPK7 Q13164 1/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL23933505 1.00 HCRTR1 (0.41) HCRTR1HCRTR2ABL1CHRM2CHRM4
SCHEMBL23933503 1.00 HCRTR1 (0.41) HCRTR1HCRTR2ABL1CHRM2CHRM4
SCHEMBL23963986 0.85 HDAC1 (0.43) ABL1JAK1JAK2AURKAAURKB
SCHEMBL30456213 0.85 HDAC1 (0.43) ABL1JAK1JAK2AURKAAURKB
SCHEMBL23933469 0.80 KDM1A (0.41) HCRTR1HCRTR2ABL1CHRM2CHRM4
SCHEMBL23933466 0.80 KDM1A (0.41) HCRTR1HCRTR2ABL1CHRM2CHRM4
SCHEMBL23933473 0.80 KDM1A (0.41) HCRTR1HCRTR2ABL1CHRM2CHRM4
SCHEMBL23932221 0.79 CHRM4 (0.62) ABL1CHRM2CHRM4
SCHEMBL23932216 0.79 CHRM4 (0.62) ABL1CHRM2CHRM4
SCHEMBL23932218 0.79 CHRM4 (0.62) ABL1CHRM2CHRM4

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 HCRTR1 36/4885HCRTR2 58/4885ABL1 4672/4885

“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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