SCHEMBL6743516

SCHEMBL6743516

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ADRA2A P08913 1/20 0.61
LMNA P02545 1/20 0.61
HIF1A Q16665 1/20 0.61
ALDH1A1 P00352 2/20 0.59
AOC3 Q16853 7/20 0.48
CHRM2 P08172 1/20 0.47
ADRA1A P35348 1/20 0.47
RGS12 O14924 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL9449194 1.00 ADRA2C (0.61) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL9449308 0.82 ADRA2C (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL13039135 0.79 KDM4E (0.54) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL4272229 0.79 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL28906870 0.79 TAAR1 (0.45) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL5872473 0.79 TACR1 (0.47) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL837417 0.79 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL12418041 0.79 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL9190252 0.79 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL5172179 0.79 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A

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-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
US-4644063-A MUSCLE RELAXANTS; AGRICULTURE NIPPON CHEMIPHAR CO., LTD. (JP) 1987-02-17 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 (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 ADRA2C 1361/4885KDM4E 703/4885ADRA2A 1527/4885

“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.