SCHEMBL8218401

SCHEMBL8218401

O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TSHR P16473 2/20 0.53
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.51
ATM Q13315 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
ACP1 P24666 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.49
USP2 O75604 1/20 0.49
ESR1 P03372 1/20 0.49
NR4A1 P22736 1/20 0.49

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
SCHEMBL8216081 0.86 MAPT (0.56) MAPTALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL8208322 0.84 ALDH1A1 (0.60) MAPTALDH1A1NPSR1TSHRHDAC8
SCHEMBL8208251 0.80 GAA (0.58) MAPTALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL8212418 0.77 TAAR1 (0.49) MAPTALDH1A1NPSR1SMN1; SMN2MAPK1
SCHEMBL16357117 0.77 MAPT (0.41) MAPTALDH1A1NPSR1SMN1; SMN2LMNA
SCHEMBL4560480 0.76 GAA (0.65) MAPTALDH1A1NPSR1TSHRHDAC8
SCHEMBL19392315 0.76 MAPT (0.77) MAPTALDH1A1NPSR1TSHRHDAC8
SCHEMBL8215692 0.76 RAB9A (0.55) MAPTALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL8212426 0.76 ADAM17 (0.48)
SCHEMBL8208836 0.74 MEN1 (0.52) MAPTALDH1A1SMN1; SMN2LMNAGAA

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 12 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
WO-2007064749-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 MAPT 739/4885ALDH1A1 1502/4885NPSR1 1217/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF MAPT 874/4885ALDH1A1 1369/4885NPSR1 934/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI MAPT 804/4885ALDH1A1 1607/4885NPSR1 1408/4885

“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.