SCHEMBL24608239

SCHEMBL24608239

Ic1ccc(N[C@@H]2C[C@H]3CNC[C@H]3C2)nc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TDO2 P48775 1/20 0.33
▸ FLT3 P36888 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ CHRNB2 P17787 2/20 0.30
▸ CHRNB4 P30926 2/20 0.30
▸ CHRNA3 P32297 2/20 0.30
▸ CHRNA4 P43681 2/20 0.30

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
SCHEMBL20936867 1.00 HCAR3 (0.36) HCAR3HRH3KDM1AJAK2JAK1
SCHEMBL25631508 0.81 KDM1A (0.45) HCAR3KDM1AJAK2JAK1CYP11B1
SCHEMBL20936923 0.79 JAK2 (0.35) HRH3KDM1AJAK2JAK1
SCHEMBL27680946 0.78 HCAR3 (0.56) HCAR3TDO2CYP11B1CYP11B2
SCHEMBL2709790 0.78 HCAR3 (0.56) HCAR3TDO2CYP11B1CYP11B2
SCHEMBL20936943 0.76 HRH3 (0.33) HRH3KDM1AJAK2JAK1
SCHEMBL20936804 0.76 HRH3 (0.33) HRH3KDM1AJAK2JAK1
SCHEMBL23545109 0.76 HRH3 (0.33) HRH3KDM1AJAK2JAK1
SCHEMBL23545062 0.76 HRH3 (0.33) HRH3KDM1AJAK2JAK1
SCHEMBL25631498 0.74 DDB1 (0.43) HRH3KDM1AJAK2JAK1FLT3

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-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 — — US disclosed
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2022-07-07 — — 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-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 HCAR3 70/4885HRH3 87/4885KDM1A 2276/4885
US-20220213069-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM2, CHRM3, CHRM4 HCAR3 70/4885HRH3 87/4885KDM1A 2276/4885

“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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