SCHEMBL2954642

SCHEMBL2954642

CCCC1CC(=O)N(Cn2cncc2C(=O)OC)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.32
DRD3 P35462 1/20 0.31
GRM2 Q14416 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL13238335 0.87 HCAR2 (0.32) BRD4
SCHEMBL4033118 0.87
SCHEMBL2951089 0.81 SMN1; SMN2 (0.31) BRD4
SCHEMBL663427 0.80 BRD4 (0.31) CYP11B1CYP11B2BRD4
SCHEMBL661318 0.79 BRD4 (0.35) CYP11B1CYP11B2MAPK1BRD4MAPT
SCHEMBL4024770 0.79 ALDH1A1 (0.33) BRD4
SCHEMBL662150 0.78 BRD4 (0.32) BRD4
SCHEMBL662332 0.74 CYP11B1 (0.42) CYP11B1CYP11B2BRD4MAPT
SCHEMBL663288 0.74 CTSL (0.39)
SCHEMBL5824191 0.72 CHRM5 (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-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
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2005-06-23 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 (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 CYP11B1 58/4885CYP11B2 35/4885MAPK1 2962/4885
US-20050137241-A1 Imidazole derivatives, processes for preparing them and their uses CYP3A4, PPIP5K2, CYP2C19 CYP11B1 58/4885CYP11B2 35/4885MAPK1 2962/4885

“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.