SCHEMBL1005459

SCHEMBL1005459

CCC1NCCN(Cc2ccccc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.61
GAA P10253 1/20 0.61
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
OPRK1 P41145 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL1005457 1.00 PKM (0.61) PKMGAASLC6A2SLC6A4SLC6A3
SCHEMBL15396554 0.85 PKM (0.64) PKMGAADDB1CRBNL3MBTL1
SCHEMBL13323373 0.80 PKM (0.56) PKMGAASLC6A2DDB1CRBN
SCHEMBL28601846 0.79 SLC6A2 (0.41) PKMGAASLC6A2SLC6A4SLC6A3
SCHEMBL334581 0.78 OPRK1 (0.59) PKMGAADDB1CRBNOPRK1
SCHEMBL14085912 0.78 ALDH1A1 (0.51) PKMGAADDB1CRBNCYP2C19
SCHEMBL6343378 0.78 OPRK1 (0.59) PKMGAADDB1CRBNOPRK1
SCHEMBL1714279 0.78 OPRK1 (0.59) PKMGAADDB1CRBNOPRK1
SCHEMBL14085924 0.77 HPGD (0.41) PKMGAADDB1CRBNOPRK1
SCHEMBL691684 0.74 PKM (0.51) PKMGAAL3MBTL1KMT2AMEN1

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-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A PKM 2714/4885GAA 2943/4885SLC6A2 572/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PKM 3490/4885GAA 4712/4885SLC6A2 2166/4885

“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.