SCHEMBL8216587

SCHEMBL8216587

CN(C)CCCOc1ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 3/20 0.45
KDR P35968 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.43
USP2 O75604 1/20 0.42
HIF1A Q16665 1/20 0.42
CACNA1B Q00975 1/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL8212421 0.94 HRH3 (0.51) HRH3ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8212505 0.84 HRH3 (0.56) HRH3ALDH1A1MAPTKDM4EKDR
SCHEMBL8218300 0.82 HRH3 (0.54) HRH3ALDH1A1MAPTKDM4EKDR
SCHEMBL8216741 0.79 HRH3 (0.51) HRH3ALDH1A1KDM4EKDRSMN1; SMN2
SCHEMBL16356942 0.78 HRH3 (0.60) HRH3ALDH1A1MAPTKDM4EKDR
SCHEMBL8208530 0.78 HRH3 (0.60) HRH3ALDH1A1MAPTKDM4EKDR
SCHEMBL8215808 0.76 HRH3 (0.55) HRH3ALDH1A1MAPTKDM4EKDR
SCHEMBL8208836 0.76 MEN1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAFAAH
SCHEMBL8216193 0.76 HRH3 (0.57) HRH3ALDH1A1MAPTKDM4EKDR
SCHEMBL8215635 0.74 NPC1 (0.61) ALDH1A1MAPTSMN1; SMN2LMNA

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 11 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
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO 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 1502/4885MAPT 739/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF HRH3 2524/4885ALDH1A1 1369/4885MAPT 874/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI HRH3 2975/4885ALDH1A1 1607/4885MAPT 804/4885

“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.