SCHEMBL4217151

SCHEMBL4217151

COC(=O)c1ccc(OC(=S)N(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
MAPT P10636 3/20 0.48
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13495915 0.88 NOTUM (0.51) MGLLMAPTALDH1A1RAB9ALMNA
SCHEMBL21385340 0.88 MAPT (0.58) MGLLMAPTALDH1A1RAB9ALMNA
SCHEMBL29594225 0.88 MAPT (0.58) MGLLMAPTALDH1A1RAB9ALMNA
SCHEMBL3546502 0.85 MAPT (0.63) MGLLMAPTALDH1A1RAB9ALMNA
SCHEMBL30037363 0.85 MAPT (0.63) MGLLMAPTALDH1A1RAB9ALMNA
SCHEMBL6296439 0.82 MAPT (0.44) MAPTALDH1A1NPSR1KMT2ACA12
SCHEMBL8099482 0.80 ALDH1A1 (0.54) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL35861 0.77 MAPT (0.64) MGLLMAPTALDH1A1HTTKMT2A
SCHEMBL3553411 0.77 HGFAC (0.53) MAPTALDH1A1RAB9AHTTKMT2A
SCHEMBL13159057 0.77 CYP46A1 (0.43) MAPTALDH1A1RAB9AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 WO 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 (1 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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 MGLL 3962/4885MAPT 3059/4885ALDH1A1 830/4885

“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.