SCHEMBL8208530

SCHEMBL8208530

CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(OCCN(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LTA4H P09960 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDR P35968 2/20 0.43
MCHR1 Q99705 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL16356942 1.00 HRH3 (0.60) HRH3ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL8212505 0.93 HRH3 (0.56) HRH3ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL8216193 0.90 HRH3 (0.57) HRH3ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL8215808 0.84 HRH3 (0.55) HRH3ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL8212421 0.83 HRH3 (0.51) HRH3ALDH1A1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL8218300 0.83 HRH3 (0.54) HRH3ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL8216741 0.80 HRH3 (0.51) HRH3ALDH1A1SMN1; SMN2L3MBTL1EPHX2
SCHEMBL8216587 0.78 HRH3 (0.48) HRH3ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL1640720 0.74 HRH3 (0.59) HRH3ALDH1A1SMN1; SMN2KDM4ELTA4H
SCHEMBL1883437 0.73 HRH3 (0.59) HRH3ALDH1A1SMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 HRH3 2338/4885ALDH1A1 1502/4885SMN1; SMN2 2291/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF HRH3 2524/4885ALDH1A1 1369/4885SMN1; SMN2 1570/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI HRH3 2975/4885ALDH1A1 1607/4885SMN1; SMN2 2646/4885

“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.