SCHEMBL21726745

SCHEMBL21726745

O=C(ON1CCC2(CC1)C[C@@H]2C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.40
CHRNA7 P36544 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
FFAR4 Q5NUL3 1/20 0.38
GAA P10253 1/20 0.38
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CARM1 Q86X55 1/20 0.36

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
SCHEMBL21726748 1.00 KMT2A (0.42) KMT2ATSHRMEN1CHRNA7CHRNB2
SCHEMBL21726754 0.90 KMT2A (0.41) KMT2ATSHRMEN1CHRNA7CHRNB2
SCHEMBL21726753 0.84 KMT2A (0.43) KMT2ATSHRMEN1CHRNA7CHRNB2
SCHEMBL21726747 0.83 KCNH2 (0.43) KMT2ATSHRMEN1CHRNA7CHRNB2
SCHEMBL25737059 0.79 F2 (0.44) KMT2ATSHRMEN1CHRNA7CHRNB2
SCHEMBL18400821 0.78 KMT2A (0.43) KMT2ATSHRMEN1CHRNA7CHRNB2
SCHEMBL1286789 0.78 HPGD (0.53) TSHRHRH3ALDH1A1
SCHEMBL19186103 0.77 RAB9A (0.47) KMT2AMEN1CHRNA7CHRNB2CHRNA5
SCHEMBL21726750 0.77 KMT2A (0.36) KMT2ATSHRMEN1CHRNA7CHRNB2
SCHEMBL21726752 0.77 KMT2A (0.36) KMT2ATSHRMEN1CHRNA7CHRNB2

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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H KMT2A 2232/4885TSHR 2701/4885MEN1 2540/4885

“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.