SCHEMBL698638

SCHEMBL698638

CCCCOC(=O)n1ccnc1[C@@H](C)c1cccc(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
MAPK1 P28482 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ALOX5 P09917 5/20 0.35
PTGES O14684 4/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL697335 0.97 MAPK1 (0.36) BCHEMAPK1CYP3A4TP53TSHR
SCHEMBL3528053 0.96 BCHE (0.35) BCHEMAPK1OPRD1OPRK1ALOX5
SCHEMBL697702 0.93 MAPK1 (0.43) MAPK1OPRD1CYP1A2CYP3A4CYP2D6
SCHEMBL714296 0.92 MAPK1 (0.36) BCHEMAPK1OPRD1OPRK1ALOX5
SCHEMBL699093 0.91 ALDH1A1 (0.40) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL699055 0.91 ALDH1A1 (0.34) MAPK1TP53TDP1ALDH1A1MAPT
SCHEMBL697545 0.90 ALDH1A1 (0.33) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL697568 0.90 MEN1 (0.34) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL698906 0.89 RARB (0.33) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL697258 0.89 MAPK1 (0.38) MAPK1OPRD1CYP1A2CYP3A4CYP2D6

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 BCHE 1100/4885MAPK1 3695/4885OPRD1 1759/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BCHE 1100/4885MAPK1 3695/4885OPRD1 1759/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BCHE 1100/4885MAPK1 3695/4885OPRD1 1759/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 BCHE 1100/4885MAPK1 3695/4885OPRD1 1759/4885

“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.