SCHEMBL697111

SCHEMBL697111

Cc1c(F)cccc1C(C)c1nccn1C(=O)OCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
P2RX4 Q99571 1/20 0.35
CYP3A4 P08684 3/20 0.34
GPR119 Q8TDV5 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 2/20 0.33
JMJD6 Q6NYC1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HDAC4 P56524 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL697019 0.89 TSHR (0.40) P2RX4CYP3A4GPR119CYP2C19CYP1A2
SCHEMBL697994 0.89 TSHR (0.40) P2RX4CYP3A4GPR119CYP2C19CYP1A2
SCHEMBL697604 0.82 GUCY1B2 (0.37) SCN9AKMT2AMEN1NPC1RAB9A
SCHEMBL698859 0.81 MEN1 (0.34) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL699093 0.80 ALDH1A1 (0.40) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL702153 0.80 GRIN2B (0.39) KMT2ATSHRMEN1NPC1RAB9A
SCHEMBL698613 0.79 KMT2A (0.34) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL698609 0.79 KMT2A (0.34) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL698189 0.79 JMJD6 (0.32) SCN9ASCN10AP2RX4KMT2AMEN1
SCHEMBL698612 0.79 KMT2A (0.34) CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9

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 SCN9A 1601/4885SCN10A 2326/4885P2RX4 710/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SCN9A 1601/4885SCN10A 2326/4885P2RX4 710/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SCN9A 1601/4885SCN10A 2326/4885P2RX4 710/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SCN9A 1601/4885SCN10A 2326/4885P2RX4 710/4885

“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.