SCHEMBL18838263

SCHEMBL18838263

C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@@H]1CC12CCN(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.38
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 3/20 0.34
SPR P35270 4/20 0.33
POLB P06746 1/20 0.33
IDH1 O75874 2/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
USP19 O94966 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL18838258 1.00 HRH3 (0.38) HRH3ALDH1A1MEN1KMT2AMGLL
SCHEMBL18838281 1.00 HRH3 (0.38) HRH3ALDH1A1MEN1KMT2AMGLL
SCHEMBL18838309 1.00 HRH3 (0.38) HRH3ALDH1A1MEN1KMT2AMGLL
SCHEMBL18838305 1.00 HRH3 (0.38) HRH3ALDH1A1MEN1KMT2AMGLL
SCHEMBL18838289 1.00 HRH3 (0.38) HRH3ALDH1A1MEN1KMT2AMGLL
SCHEMBL18838285 0.89 HRH3 (0.33) HRH3ALDH1A1MGLLPOLBIDH1
SCHEMBL18838308 0.89 HRH3 (0.33) HRH3ALDH1A1MGLLPOLBIDH1
SCHEMBL18838259 0.89 HRH3 (0.33) HRH3ALDH1A1MGLLPOLBIDH1
SCHEMBL18838311 0.89 HRH3 (0.33) HRH3ALDH1A1MGLLPOLBIDH1
SCHEMBL18838291 0.89 HRH3 (0.33) HRH3ALDH1A1MGLLPOLBIDH1

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 4 patents. 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
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 US disclosed
EP-3340988-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES Afasci, Inc. (US) 2018-07-04 EP disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 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 (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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H HRH3 1744/4885ALDH1A1 2756/4885MEN1 2540/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H HRH3 1744/4885ALDH1A1 2756/4885MEN1 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.