SCHEMBL8208524

SCHEMBL8208524

CNC(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.57
NPC1 O15118 11/20 0.57
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 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
SCHEMBL8215606 0.87 RAB9A (0.52) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL8208322 0.86 ALDH1A1 (0.60) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL8216081 0.85 MAPT (0.56) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL16356391 0.84 MAPT (0.54) MAPTNPSR1ALDH1A1RECQLGAA
SCHEMBL14365697 0.82 RAB9A (0.62) RAB9ANPC1NPSR1SMN1; SMN2GAA
SCHEMBL8212458 0.81 EP300 (0.48) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL5562004 0.81 MAPT (0.60) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL29521820 0.80 NPC1 (0.64) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL10138632 0.79 RAB9A (0.55) RAB9ANPC1MAPTNPSR1ALDH1A1
SCHEMBL13912 0.79 KMT2A (0.75) RAB9ANPC1MAPTNPSR1ALDH1A1

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-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO 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 RAB9A 1661/4885NPC1 481/4885MAPT 739/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF RAB9A 2283/4885NPC1 477/4885MAPT 874/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI RAB9A 922/4885NPC1 415/4885MAPT 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.