SCHEMBL4527113

SCHEMBL4527113

CC(C)(C)OC(=O)n1c(C(F)(F)Cl)nc2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
BACE1 P56817 1/20 0.37
NR1H2 P55055 7/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
USP30 Q70CQ3 2/20 0.35
PPARA Q07869 1/20 0.34
NR1H3 Q13133 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
TBXA2R P21731 1/20 0.34
SIK1 P57059 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL3756850 0.81 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL856144 0.80 TBXA2R (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL10173079 0.78 CCNB2 (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL481590 0.76 BACE1 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL29967119 0.75 BACE1 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL28877791 0.75 BACE1 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1826381 0.75 NR1H2 (0.45) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL16150279 0.74 CCNB2 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL31144615 0.74 HTR6 (0.44) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL1283797 0.73 PIK3CA (0.41) CCNB2CDK1CCNB1GSK3BCCNB3

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
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
EP-2124563-B1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-29 EP disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-7612211-B2 Benzimidazole TRPV1 inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-03 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 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 (1 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-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 CCNB2 3120/4885CDK1 1099/4885CCNB1 3254/4885

“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.