SCHEMBL697307

SCHEMBL697307

CCCC1(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)CCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.35
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL699093 0.85 ALDH1A1 (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL698166 0.84 OPRD1 (0.33) OPRD1OPRK1MAPTALDH1A1MAPK1
SCHEMBL696473 0.83 MEN1 (0.33) OPRD1OPRK1MAPTALDH1A1MEN1
SCHEMBL697702 0.83 MAPK1 (0.43) OPRD1MAPTALDH1A1MAPK1MEN1
SCHEMBL698638 0.81 BCHE (0.38) OPRD1OPRK1MAPTALDH1A1MAPK1
SCHEMBL697335 0.80 MAPK1 (0.36) ALDH1A1MAPK1
SCHEMBL703524 0.80 IRAK4 (0.33) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL697994 0.80 TSHR (0.40) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL697019 0.80 TSHR (0.40) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL697258 0.79 MAPK1 (0.38) OPRD1MAPTALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CTSK 1257/4885OPRD1 1759/4885OPRK1 1806/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CTSK 1257/4885OPRD1 1759/4885OPRK1 1806/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CTSK 1257/4885OPRD1 1759/4885OPRK1 1806/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CTSK 1257/4885OPRD1 1759/4885OPRK1 1806/4885

“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.