SCHEMBL4196258

SCHEMBL4196258

COc1ccc(CNC2CCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RB1 P06400 8/20 0.54
BRD3 Q15059 1/20 0.47
CDC42 P60953 1/20 0.46
HTR7 P34969 2/20 0.46
CHRM4 P08173 1/20 0.45
DRD2 P14416 1/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
GAA P10253 1/20 0.45
CASP6 P55212 1/20 0.45
PRMT5 O14744 1/20 0.45

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
Hydrochloric Acid SCHEMBL4153475 0.99 RB1 (0.55) RB1BRD3CDC42HTR7CHRM4
SCHEMBL25289891 0.87 RB1 (0.58) RB1BRD3CDC42GAACASP6
SCHEMBL4191431 0.87 RB1 (0.62) RB1BRD3CDC42HTR7GAA
SCHEMBL22135853 0.87 RB1 (0.62) RB1BRD3CDC42HTR7GAA
SCHEMBL4191219 0.87 SIRT1 (0.57) BRD3CDC42HTR7CHRM4DRD2
SCHEMBL5428515 0.86 GAA (0.64) RB1BRD3CDC42GAACASP6
Hydrochloric Acid SCHEMBL4161906 0.86 SIRT1 (0.56) RB1BRD3CDC42HTR7CHRM4
Hydrochloric Acid SCHEMBL4162946 0.86 RB1 (0.63) RB1BRD3CDC42HTR7GAA
Hydrochloric Acid SCHEMBL15265307 0.86 RB1 (0.63) RB1BRD3CDC42HTR7GAA
SCHEMBL22135732 0.85 CYP2D6 (0.55) BRD3CDC42GAACASP6PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658068-B1 NOVEL CYCLOALKYL[B] CONDENSED INDOLES SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP 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-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

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-20090170923-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 RB1 4460/4885BRD3 4059/4885CDC42 1350/4885

“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.