SCHEMBL2958043

SCHEMBL2958043

O=C1CC(c2ccc(F)c(Cl)c2)CN1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G7 Q13093 1/20 0.39
HTR7 P34969 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
HTR2A P28223 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL2945938 0.87 TSHR (0.42) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2957434 0.83 HPGD (0.53) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2947841 0.81 HPGD (0.51) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2954895 0.80 HPGD (0.49) HPGDTSHRALDH1A1SMN1; SMN2TP53
SCHEMBL16432172 0.79 TSHR (0.41) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2945967 0.79 TSHR (0.41) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2957523 0.78 HPGD (0.48) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL662104 0.78 CYP19A1 (0.43) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2948618 0.77 HPGD (0.42) HPGDTSHRPDE4APDE4BPDE4C
SCHEMBL2360279 0.74 GRM5 (0.36) HPGDTSHRPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513105-A 2007-05-24 JP claimed
CN-1906160-A Imidazole derivatives, processes for preparing them and their uses UCB SA (BE) 2007-01-31 CN claimed
EP-1706376-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2006-10-04 EP claimed
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2005-06-23 US claimed
WO-2005054188-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2005-06-16 WO claimed
US-7763644-B2 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2010-07-27 US disclosed
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
EP-1706376-B1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2009-03-04 EP disclosed
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. 2008-04-03 US disclosed
US-7244747-B2 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-07-17 US disclosed
CN-1906160-A Imidazole derivatives, processes for preparing them and their uses UCB SA (BE) 2007-01-31 CN disclosed
EP-1706376-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2006-10-04 EP disclosed
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2005-06-23 US disclosed
WO-2005054188-A1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB, S.A. (BE) 2005-06-16 WO 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 (2 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-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 HPGD 79/4885TSHR 3324/4885PDE4A 213/4885
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 HPGD 79/4885TSHR 3324/4885PDE4A 213/4885

“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.