SCHEMBL1471007

SCHEMBL1471007

CC(C)Oc1ccccc1SCCN

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
PTGS2 P35354 10/20 0.41
CSNK2A1 P68400 2/20 0.39
TLR8 Q9NR97 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL12750162 0.84 PTGS2 (0.57) IRAK4PTGS2MTNR1AMTNR1BALDH1A1
SCHEMBL7410139 0.80 MTNR1A (0.55) PTGS2MTNR1AMTNR1BALDH1A1
Alcohol SCHEMBL9175412 0.76 HTR7 (0.53) PTGS2MTNR1AMTNR1BALDH1A1
SCHEMBL9193406 0.75 IRAK4 (0.46) IRAK4TLR8NPSR1ALDH1A1ACHE
SCHEMBL9035382 0.74 IRAK4 (0.44) IRAK4TLR8NPSR1ALDH1A1ACHE
SCHEMBL1471497 0.73 RAB9A (0.52) ALDH1A1
SCHEMBL21415470 0.72 IRAK4 (0.43) IRAK4TLR8NPSR1ALDH1A1ACHE
SCHEMBL14403060 0.70 IRAK4 (0.39) IRAK4TLR8NPSR1ALDH1A1ACHE
SCHEMBL7410828 0.70 HTR7 (0.47) ACHE
SCHEMBL29591819 0.70 ALDH1A1 (0.57) IRAK4TLR8NPSR1ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
EP-1660472-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP disclosed
WO-2005021525-A1 ARYL PIPERIDINE AMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-10 WO disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 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 (2 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 IRAK4 575/4885PTGS2 1038/4885CSNK2A1 2490/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 IRAK4 575/4885PTGS2 1038/4885CSNK2A1 2490/4885

“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.