SCHEMBL24115263

SCHEMBL24115263

CN[C@H](CC(C)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HTR1D P28221 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 3/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
RIPK1 Q13546 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL13593226 1.00 ALDH1A1 (0.57) ALDH1A1HTR1DMTNR1AMTNR1BKDM4E
SCHEMBL167045 0.86 ALDH1A1 (0.59) ALDH1A1HTR1DMAPTLMNAATM
SCHEMBL1144429 0.86 ALDH1A1 (0.59) ALDH1A1HTR1DMAPTLMNAATM
SCHEMBL2300538 0.86 ALDH1A1 (0.59) ALDH1A1HTR1DMAPTLMNAATM
SCHEMBL4628700 0.83 KMT2A (0.58) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL4142005 0.83 KMT2A (0.51) ALDH1A1MTNR1AMTNR1BKDM4EMAPT
SCHEMBL4628706 0.83 KMT2A (0.58) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL16348724 0.83 ALDH1A1 (0.56) ALDH1A1HTR1DLMNASLC6A3CYP2D6
SCHEMBL10962850 0.83 KMT2A (0.51) ALDH1A1MTNR1AMTNR1BKDM4EMAPT
SCHEMBL1709762 0.83 KMT2A (0.58) ALDH1A1MAPTLMNAKMT2AMEN1

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-20230374045-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND RELATED INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. 2023-11-23 US disclosed
EP-3925667-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-22 EP 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-20230374045-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND RELATED INSULIN ANALOGS IAPP, GPR119, INSR ALDH1A1 4080/4885HTR1D 3643/4885MTNR1A 1044/4885

“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.