Sugi Predict

Sugi Predict / Compounds / SCHEMBL21652264

SCHEMBL21652264

SCHEMBL21652264

N[C@@H](c1ccccc1)[C@@H](Nc1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.38
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ KCNQ2 O43526 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.31
▸ AOC3 Q16853 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ FABP3 P05413 1/20 0.30
▸ FABP4 P15090 1/20 0.30
▸ FABP5 Q01469 1/20 0.30

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
SCHEMBL21652160 0.91 DPP4 (0.43) DPP4CHRNB2CHRNA4KCNQ2MAPT
SCHEMBL21652180 0.85 DPP4 (0.36) DPP4KCNQ2MAPTLMNAFFAR4
SCHEMBL23772891 0.82 TACR1 (0.34) DPP4KCNQ2MAPTALDH1A1FFAR4
SCHEMBL21652261 0.82 MAPT (0.36) DPP4KCNQ2MAPTALDH1A1LMNA
SCHEMBL21652262 0.82 TACR1 (0.42) MAPTALDH1A1
SCHEMBL21652184 0.82 ABL1 (0.44) DPP4MAPTALDH1A1LMNAFFAR4
SCHEMBL21652182 0.81 LMNA (0.41) DPP4KCNQ2MAPTALDH1A1LMNA
SCHEMBL21652265 0.80 KCNQ2 (0.34) DPP4KCNQ2MAPTALDH1A1FFAR4
SCHEMBL21652260 0.78 HTR2A (0.39) DPP4KCNQ2MAPTFFAR4AOC3
SCHEMBL21652279 0.76 SLC10A1 (0.45) CHRNB2CHRNA4ALDH1A1HTTL3MBTL1

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 DPP4 4771/4885CHRNB2 142/4885CHRNA4 573/4885
US-11161861-B2 Boron-nitrogen ligand with chiral 1,2-ethylenediamine backbone, and preparation method and use thereof C3AR1, BDKRB1, BDKRB2 DPP4 4771/4885CHRNB2 142/4885CHRNA4 573/4885

“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.