SCHEMBL697237

SCHEMBL697237

CC(c1ncc[nH]1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
TAAR1 Q96RJ0 2/20 0.43
F2RL1 P55085 4/20 0.41
FPR2 P25090 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34

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 0.86 ADRA2A (0.55) P2RX7ADRA2AADRA2BADRA2CTAAR1
SCHEMBL696107 0.86 ADRA2A (0.57) P2RX7ADRA2AADRA2BADRA2CTAAR1
SCHEMBL698140 0.85 ADRA2A (0.53) P2RX7ADRA2AADRA2BADRA2CTAAR1
SCHEMBL698030 0.84 F2RL1 (0.52) P2RX7TAAR1F2RL1
SCHEMBL697099 0.81 ADRA2A (0.58) ADRA2AADRA2BADRA2CTAAR1F2RL1
SCHEMBL702593 0.80 ADRA2A (0.57) ADRA2AADRA2BADRA2CTAAR1F2RL1
SCHEMBL28793807 0.77 ADRA2A (0.53) ADRA2AADRA2BADRA2CTAAR1F2RL1
SCHEMBL698121 0.77 ADRA2A (0.53) ADRA2AADRA2BADRA2CTAAR1F2RL1
SCHEMBL702854 0.76 ADRA2A (0.58) ADRA2AADRA2BADRA2CTAAR1F2RL1
SCHEMBL956496 0.75 ADRA2A (0.61) 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 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 P2RX7 671/4885ADRA2A 456/4885ADRA2B 317/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885ADRA2A 456/4885ADRA2B 317/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885ADRA2A 456/4885ADRA2B 317/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885ADRA2A 456/4885ADRA2B 317/4885

“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.