SCHEMBL6743358

SCHEMBL6743358

CO[C@H](c1ccccc1)[C@@H](N)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
CYP3A4 P08684 3/20 0.40
TAAR1 Q96RJ0 3/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 2/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL6743353 1.00 THRB (0.46) THRBCYP3A4TAAR1ADRA2AADRA2C
SCHEMBL20026233 0.79 THRB (0.43) THRBCYP3A4TAAR1CYP2D6SLC6A2
SCHEMBL12262583 0.78 THRB (0.53) THRBCYP3A4TAAR1ADRA2AADRA2C
SCHEMBL18257694 0.78 THRB (0.53) THRBCYP3A4TAAR1ADRA2AADRA2C
SCHEMBL16888402 0.78 THRB (0.53) THRBCYP3A4TAAR1ADRA2AADRA2C
SCHEMBL3627338 0.78 THRB (0.53) THRBCYP3A4TAAR1ADRA2AADRA2C
SCHEMBL10209766 0.76 HTR2A (0.52) THRBCYP3A4ADRA2ALMNAKDM4E
Hydrochloric Acid SCHEMBL22774703 0.76 ALDH1A1 (0.52) THRBCYP3A4TAAR1ADRA2AADRA2C
Hydrochloric Acid SCHEMBL22774850 0.76 ALDH1A1 (0.52) THRBCYP3A4TAAR1ADRA2AADRA2C
SCHEMBL5872473 0.76 TACR1 (0.47) TAAR1ADRA2AADRA2CLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689785-B2 USEFUL PARTICULARLY AS REMEDIES FOR BONE DISEASES AND ARTHRITIS NIPPON CHEMIPHAR CO., LTD. (JP) 2004-02-10 US disclosed
EP-1342720-A2 Epoxysuccinamide derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 2003-09-10 EP disclosed
EP-1022276-B1 EPOXYSUCCINAMIDE DERIVATIVES NIPPON CHEMIPHAR CO (JP) 2003-05-28 EP disclosed
US-20020091131-A1 Epoxysuccinamide derivatives VELCURA THERAPEUTICS, INC. 2002-07-11 US disclosed
US-6387908-B1 BONE DISORDERS; ANTIARTHRITIC AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 2002-05-14 US disclosed
EP-1022276-A1 EPOXYSUCCINAMIDE DERIVATIVES NIPPON CHEMIPHAR CO., LTD. (JP) 2000-07-26 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-20020091131-A1 Epoxysuccinamide derivatives NR0B1, NR2E1, NR4A1 THRB 1785/4885CYP3A4 375/4885TAAR1 243/4885

“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.