SCHEMBL23610045

SCHEMBL23610045

O[C@@H](c1ccc(F)cc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC10A1 Q14973 1/20 0.40
BRD4 O60885 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 2/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL17842469 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL31143772 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL30616701 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL31143671 1.00 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL31143614 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL477369 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL31143646 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL23610057 0.84 SLC6A2 (0.63) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL15709920 0.83 AHR (0.54) SLC6A3SLC6A2SLC6A4MAPTKDM4E
SCHEMBL3678911 0.81 SLC6A2 (0.51) SLC6A3SLC6A2SLC6A4MAPTKDM4E

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-11130734-B2 Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same MOLECULES & MATERIALS CO., LTD. (KR) 2021-09-28 US disclosed
US-11130734-B2 Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same MOLECULES & MATERIALS CO., LTD. (KR) 2021-09-28 US disclosed
US-20210206719-A1 AMINO ALCOHOL-BORON-BINOL COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE BY USING SAME MOLECULES & MATERIALS CO., LTD. (KR) 2021-07-08 US disclosed
US-20210206719-A1 AMINO ALCOHOL-BORON-BINOL COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE BY USING SAME MOLECULES & MATERIALS CO., LTD. (KR) 2021-07-08 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-11130734-B2 Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same BCAT1, BCAT2, HBS1L SLC6A3 1166/4885SLC6A2 1343/4885SLC6A4 2273/4885
US-20210206719-A1 AMINO ALCOHOL-BORON-BINOL COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE BY USING SAME BCAT1, BCAT2, HBS1L SLC6A3 1120/4885SLC6A2 1133/4885SLC6A4 1828/4885

“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.