SCHEMBL696754

SCHEMBL696754

Cc1cccc([C@H](C)c2nccn2C(=O)OCc2cccc(C#N)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOB P27338 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
FFAR1 O14842 5/20 0.37
FFAR4 Q5NUL3 1/20 0.37
POLB P06746 1/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HTR6 P50406 1/20 0.36
ALKBH1 Q13686 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL699044 0.92 FNTA (0.41) CYP11B1CYP11B2MAOBFNTAFNTB
SCHEMBL697165 0.88 GRIN2B (0.42) MAOBFFAR1FFAR4POLBFNTA
SCHEMBL697760 0.86 L3MBTL1 (0.38) FFAR1FNTAFNTBPGGT1B
SCHEMBL697730 0.86 GRM5 (0.41) MAOBFFAR1FFAR4GRM5
SCHEMBL697361 0.86 GRIN2B (0.41) MAOBFFAR1GRM5
SCHEMBL697860 0.85 FFAR1 (0.35) FFAR1POLB
SCHEMBL699122 0.85 FFAR1 (0.41) MAOBMRGPRX4FFAR1POLB
SCHEMBL708924 0.85 FFAR1 (0.38) MRGPRX4FFAR1
SCHEMBL697782 0.84 GRIN2B (0.35) FFAR1FFAR4POLB
SCHEMBL698126 0.83 GRIN2B (0.41) MAOB

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 9 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
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 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885

“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.