Sugi Predict

Sugi Predict / Compounds / SCHEMBL21652262

SCHEMBL21652262

SCHEMBL21652262

N[C@@H](c1ccccc1)[C@@H](Nc1ccccc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ ATP1A1 P05023 1/20 0.38
▸ ATP1B1 P05026 1/20 0.38
▸ ATP1A3 P13637 1/20 0.38
▸ ATP1B2 P14415 1/20 0.38
▸ ATP1A2 P50993 1/20 0.38
▸ ATP1B3 P54709 1/20 0.38
▸ FXYD2 P54710 1/20 0.38
▸ ATP1A4 Q13733 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL23772891 0.87 TACR1 (0.34) TACR1ALDH1A1MAPT
SCHEMBL21652264 0.82 DPP4 (0.38) ALDH1A1MAPT
SCHEMBL21652160 0.81 DPP4 (0.43) ALDH1A1MEN1MAPTKMT2A
SCHEMBL21652180 0.80 DPP4 (0.36) TACR1MEN1MAPTKMT2A
SCHEMBL21652275 0.79 ATP1A1 (0.42) TACR1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL21652184 0.76 ABL1 (0.44) TACR1ALDH1A1MEN1MAPTKMT2A
SCHEMBL21652261 0.76 MAPT (0.36) ALDH1A1MAPT
SCHEMBL21652182 0.75 LMNA (0.41) ALDH1A1MEN1MAPTKMT2A
SCHEMBL21652265 0.74 KCNQ2 (0.34) ALDH1A1MAPT
SCHEMBL30239958 0.73 TACR1 (0.50) TACR1ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161861-B2 Boron-nitrogen ligand with chiral 1,2-ethylenediamine backbone, and preparation method and use thereof Lanzhou Institute of Chemical Physics, Chinese Academy of Science (CN) 2021-11-02 — — US disclosed
US-20210253606-A1 BORON-NITROGEN LIGAND WITH CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE, AND PREPARATION METHOD AND USE THEREOF SUZHOU RESEARCH INSTITUTE, LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-08-19 — — US disclosed
WO-2020019911-A1 BORON NITROGEN LIGAND BASED ON CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE AND PREPARATION METHOD AND USE THEREOF 中国科学院兰州化学物理研究所苏州研究院 2020-01-30 — — 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-20210253606-A1 BORON-NITROGEN LIGAND WITH CHIRAL 1,2-ETHYLENEDIAMINE BACKBONE, AND PREPARATION METHOD AND USE THEREOF C3AR1, BDKRB1, BDKRB2 TACR1 1229/4885IDO1 626/4885TDO2 436/4885
US-11161861-B2 Boron-nitrogen ligand with chiral 1,2-ethylenediamine backbone, and preparation method and use thereof C3AR1, BDKRB1, BDKRB2 TACR1 1229/4885IDO1 626/4885TDO2 436/4885

“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.