SCHEMBL25232120

SCHEMBL25232120

O=S(=O)(c1ccc2c(c1)CCO2)N1CCC(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
HTR2B P41595 1/20 0.64
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.62
USP2 O75604 2/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 2/20 0.55
HTT P42858 1/20 0.55
CHRM5 P08912 6/20 0.51
CHRM1 P11229 2/20 0.51
TSHR P16473 1/20 0.51
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL30456888 1.00 KMT2A (0.64) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL25723501 0.88 KMT2A (0.58) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL28181531 0.81 KMT2A (0.72) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL20456469 0.80 HTR2B (0.86) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL20456414 0.80 KMT2A (0.78) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL20456209 0.78 KMT2A (1.00) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL1299053 0.78 HTR2B (1.00) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL20456427 0.76 KMT2A (0.74) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL20456208 0.76 KMT2A (0.74) KMT2AHTR2BALDH1A1LMNAUSP2
SCHEMBL20456447 0.76 HTR2B (0.78) KMT2AHTR2BALDH1A1LMNAUSP2

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 KMT2A 1139/4885HTR2B 54/4885ALDH1A1 622/4885

“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.