SCHEMBL697119

SCHEMBL697119

Cc1ccc(C(C)c2ncc[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.52
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
ADRA2C P18825 2/20 0.51
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA7 P36544 1/20 0.36
FPR2 P25090 4/20 0.35
F2RL1 P55085 4/20 0.35
MLKL Q8NB16 1/20 0.34
MTOR P42345 1/20 0.33
ADK P55263 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL28000044 0.83 ADRA2A (0.60) NISCHADRA2AADRA2BADRA2CFPR2
SCHEMBL698729 0.83 ADRA2A (0.60) NISCHADRA2AADRA2BADRA2CFPR2
SCHEMBL3170537 0.83 NISCH (0.53) NISCHADRA2AADRA2BADRA2CNPC1
SCHEMBL27943468 0.81 ADRA2A (0.48) NISCHADRA2AADRA2BADRA2CNPC1
SCHEMBL27924047 0.81 ADRA2A (0.48) NISCHADRA2AADRA2BADRA2CNPC1
SCHEMBL697629 0.81 ADRA2A (0.48) NISCHADRA2AADRA2BADRA2CNPC1
SCHEMBL697032 0.81 ADRA2A (0.55) NISCHADRA2AADRA2BADRA2CALDH1A1
SCHEMBL14576492 0.80 ADRA2A (0.47) NISCHADRA2AADRA2BADRA2CALDH1A1
SCHEMBL2471280 0.80 NISCH (0.50) NISCHADRA2AADRA2BADRA2CNPC1
SCHEMBL12716698 0.80 ADRA2A (0.53) NISCHADRA2AADRA2BADRA2CALDH1A1

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 NISCH 5/4885ADRA2A 456/4885ADRA2B 317/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NISCH 5/4885ADRA2A 456/4885ADRA2B 317/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NISCH 5/4885ADRA2A 456/4885ADRA2B 317/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NISCH 5/4885ADRA2A 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.