SCHEMBL8212458

SCHEMBL8212458

CN1CCN(c2ccc(NC(=O)[C@H](O)[C@@H](O)C(=O)NCCCCl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
MAPT P10636 6/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
GAA P10253 2/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL8215692 0.87 RAB9A (0.55) MAPTTSHRRAB9ANPC1GAA
SCHEMBL8208524 0.81 RAB9A (0.57) MAPTTSHRRAB9ANPC1GAA
SCHEMBL8215606 0.77 RAB9A (0.52) MAPTTSHRRAB9ANPC1GAA
SCHEMBL30797133 0.77 CNR1 (0.59) MAPTRAB9ANPC1GAANPSR1
SCHEMBL8216081 0.76 MAPT (0.56) MAPTTSHRRAB9ANPC1GAA
SCHEMBL8208685 0.75 SPHK1 (0.46) RAB9ANPC1SMN1; SMN2
SCHEMBL8418452 0.74 ALDH1A1 (0.54) MAPTHPGDTAAR1RAB9ANPC1
SCHEMBL8218258 0.74 GCGR (0.45) MAPTRAB9ANPC1KMT2A
SCHEMBL8216616 0.74 TSHR (0.49) MAPTTSHRRAB9ANPC1GAA
SCHEMBL8208426 0.74 SPHK1 (0.51) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2

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 EP300 1311/4885MAPT 739/4885TSHR 4043/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF EP300 1026/4885MAPT 874/4885TSHR 3764/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI EP300 1390/4885MAPT 804/4885TSHR 3893/4885

“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.