SCHEMBL697724

SCHEMBL697724

CCc1c(C)cccc1C(C)(O)c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.46
HTR1A P08908 1/20 0.38
CYP19A1 P11511 1/20 0.35
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
F2RL1 P55085 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CDC7 O00311 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
JAK2 O60674 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
CHEK2 O96017 1/20 0.30
ABL1 P00519 1/20 0.30
LCK P06239 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
SCHEMBL1573354 0.83 TAAR1 (0.40) TAAR1CYP19A1GABRA1GABRB2F2RL1
SCHEMBL699180 0.81 CYP19A1 (0.47) TAAR1CYP19A1GABRA1GABRB2F2RL1
SCHEMBL696761 0.78 TAAR1 (0.40) TAAR1CYP19A1GABRA1GABRB2F2RL1
SCHEMBL696368 0.78 TAAR1 (0.42) TAAR1HTR1ACYP19A1GABRA1GABRB2
SCHEMBL27753899 0.76 TAAR1 (0.38) TAAR1HTR1ACYP19A1F2RL1
SCHEMBL27733481 0.76 TAAR1 (0.43) TAAR1HTR1ACYP19A1F2RL1
SCHEMBL698787 0.75 CYP19A1 (0.43) TAAR1CYP19A1F2RL1ALDH1A1JAK2
SCHEMBL697634 0.75 CYP19A1 (0.37) TAAR1CYP19A1F2RL1ALDH1A1
SCHEMBL697069 0.74 TAAR1 (0.40) TAAR1HTR1ACYP19A1F2RL1ALDH1A1
SCHEMBL697917 0.73 CYP19A1 (0.38) TAAR1CYP19A1F2RL1

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 TAAR1 2147/4885HTR1A 1832/4885CYP19A1 1985/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885HTR1A 1832/4885CYP19A1 1985/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885HTR1A 1832/4885CYP19A1 1985/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885HTR1A 1832/4885CYP19A1 1985/4885

“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.