SCHEMBL5030901

SCHEMBL5030901

CCCC1CC(=O)N(Cn2ccnc2Cl)C1.O=C1CC(c2ccccc2)CN1Cn1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BRD4 O60885 3/20 0.33
GRM2 Q14416 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL4023237 0.91 TSHR (0.44) HPGDTSHRTP53CHRM2CHRM4
SCHEMBL662692 0.82 BRD4 (0.31) BRD4
SCHEMBL661214 0.81 TSHR (0.55) HPGDTSHRTP53CHRM2CHRM4
SCHEMBL21708169 0.81 TSHR (0.55) HPGDTSHRTP53CHRM2CHRM4
SCHEMBL20555169 0.80 TBXAS1 (0.39)
SCHEMBL660885 0.80 TBXAS1 (0.39)
SCHEMBL2361897 0.79 HPGD (0.32) HPGDTSHR
SCHEMBL23111251 0.79 CYP2C9 (0.32)
SCHEMBL661994 0.75 CYP2A6 (0.44) HPGDTSHRTP53ADRA1A
SCHEMBL20556066 0.74 PLA2G7 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081832-A1 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. 2008-04-03 US claimed
US-7244747-B2 Imidazole derivatives, processes for preparing them and their uses UCB, S.A. (BE) 2007-07-17 US claimed
JP-2007513105-A 2007-05-24 JP 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

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 3324/4885TP53 2401/4885
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 HPGD 79/4885TSHR 3324/4885TP53 2401/4885

“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.