SCHEMBL697667

SCHEMBL697667

Cc1cccc(C(C)c2ncc[nH]2)c1C(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.55
ADRA2B P18089 6/20 0.55
ADRA2C P18825 6/20 0.55
F2RL1 P55085 9/20 0.44
TAAR1 Q96RJ0 2/20 0.38
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
ADRA1D P25100 2/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR7 P34969 1/20 0.35
PTGER3 P43115 1/20 0.32

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
Demiditraz SCHEMBL617479 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1
Demiditraz SCHEMBL696353 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1
Demiditraz SCHEMBL697081 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1
Demiditraz SCHEMBL29388955 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL705511 0.83 ADRA2A (0.53) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL700615 0.82 ADRA2A (0.57) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL3532392 0.82 ADRA2A (0.57) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL13034019 0.82 ADRA2A (0.57) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL14462564 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CF2RL1TAAR1
SCHEMBL702593 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CF2RL1TAAR1

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 456/4885ADRA2B 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

“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.