SCHEMBL4152166

SCHEMBL4152166

CC(C)NC(=O)NC1CCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.61
KCNH2 Q12809 1/20 0.61
BRD3 Q15059 7/20 0.57
MAPT P10636 3/20 0.54
ALOX15 P16050 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
DHODH Q02127 2/20 0.49
GAA P10253 1/20 0.47
CASP6 P55212 1/20 0.47
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT1 Q96EB6 2/20 0.45
BAZ2B Q9UIF8 1/20 0.44

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
SCHEMBL4152213 0.86 BRD3 (0.75) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4028639 0.85 CYP2D6 (0.67) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4172365 0.84 CYP2D6 (0.60) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4169472 0.84 MAPT (0.75) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL21996157 0.84 CYP2D6 (0.79) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL13925731 0.83 BRD3 (0.62) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4025034 0.83 CYP2D6 (0.71) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4163639 0.81 BRD3 (0.60) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4024670 0.81 CYP2D6 (0.54) CYP2D6KCNH2BRD3MAPTALOX15
SCHEMBL4023923 0.81 CYP2D6 (0.54) CYP2D6KCNH2BRD3MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US claimed
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles SMITHKLINE BEECHAM CORPORATION 2006-12-14 US claimed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-7622494-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-11-24 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
US-20090170923-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-07-02 US disclosed
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles SMITHKLINE BEECHAM CORPORATION 2006-12-14 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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 CYP2D6 994/4885KCNH2 4356/4885BRD3 4059/4885
US-20060281804-A1 Novel cycloalkyl'b! condensed indoles BCCIP, TP53, TOP2B CYP2D6 3945/4885KCNH2 3846/4885BRD3 72/4885

“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.