SCHEMBL698275

SCHEMBL698275

COC(c1ncc[nH]1)c1cccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.43
ADRA2B P18089 7/20 0.43
ADRA2C P18825 7/20 0.43
F2RL1 P55085 6/20 0.42
ADRA1A P35348 4/20 0.39
ADRA1B P35368 3/20 0.39
ADRA1D P25100 2/20 0.39
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
SLC6A2 P23975 1/20 0.38
HTR7 P34969 1/20 0.38
NISCH Q9Y2I1 1/20 0.33
ESR1 P03372 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
Demiditraz SCHEMBL617479 0.81 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL696353 0.81 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL697081 0.81 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL29388955 0.81 ADRA2A (0.61) ADRA2AADRA2BADRA2CF2RL1ADRA1A
SCHEMBL696724 0.79 F2RL1 (0.60) ADRA2AADRA2BADRA2CF2RL1
SCHEMBL2473373 0.79 ADRA2A (0.44) ADRA2AADRA2BADRA2CF2RL1ADRA1A
SCHEMBL695879 0.77 F2RL1 (0.43) ADRA2AADRA2BADRA2CF2RL1ADRA1A
Demiditraz SCHEMBL28114617 0.75 ADRA2A (0.55) ADRA2AADRA2BADRA2CF2RL1ADRA1A
SCHEMBL21401169 0.71 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL697812 0.71 ADRA2A (0.56) ADRA2AADRA2BADRA2CF2RL1ADRA1A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 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
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
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
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 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
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP 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
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

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.