SCHEMBL697369

SCHEMBL697369

COc1cc(C(C)(O)c2ncc[nH]2)c(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.43
ADRA2C P18825 4/20 0.43
ADRA1D P25100 4/20 0.43
ADRA1A P35348 4/20 0.43
ADRA1B P35368 4/20 0.43
SMPD3 Q9NY59 1/20 0.38
CYP19A1 P11511 2/20 0.33
CFB P00751 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL704581 0.80 ADRA2A (0.37) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL697576 0.77 CYP19A1 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL27733474 0.76 CYP19A1 (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL698788 0.70 CYP19A1 (0.47) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL697855 0.70 CYP19A1 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL698443 0.70 CYP19A1 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL697647 0.70 CYP19A1 (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1573354 0.70 TAAR1 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL696482 0.69 CYP19A1 (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL696424 0.68 CYP19A1 (0.42) CYP19A1ALDH1A1SMN1; SMN2

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 10 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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 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 ADRA2A 456/4885ADRA2C 144/4885ADRA1D 465/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2C 144/4885ADRA1D 465/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2C 144/4885ADRA1D 465/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2C 144/4885ADRA1D 465/4885

“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.