SCHEMBL696107

SCHEMBL696107

CC(c1ncc[nH]1)c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.57
ADRA2B P18089 3/20 0.57
ADRA2C P18825 3/20 0.57
TAAR1 Q96RJ0 2/20 0.43
FPR2 P25090 2/20 0.38
P2RX7 Q99572 1/20 0.36
F2RL1 P55085 6/20 0.36
HSD11B1 P28845 3/20 0.35
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL697155 0.88 ADRA2A (0.55) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL698140 0.87 ADRA2A (0.53) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL697237 0.86 P2RX7 (0.52) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL2472106 0.82 TAAR1 (0.43) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL698121 0.78 ADRA2A (0.53) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL956496 0.76 ADRA2A (0.61) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL9414539 0.76 ADRA2A (0.61) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL954638 0.76 ADRA2A (0.61) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL954913 0.75 ADRA2A (0.60) ADRA2AADRA2BADRA2CTAAR1FPR2
SCHEMBL957611 0.74 ADRA2A (0.58) ADRA2AADRA2BADRA2CTAAR1F2RL1

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 47 patents — showing the first 20. 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 claimed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP claimed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO claimed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 US claimed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US claimed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US claimed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP claimed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US claimed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US claimed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO claimed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (5 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 456/4885ADRA2B 317/4885ADRA2C 144/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ADRA2A 456/4885ADRA2B 317/4885ADRA2C 144/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 ADRA2A 3171/4885ADRA2B 2195/4885ADRA2C 2212/4885

“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.