SCHEMBL4196306

SCHEMBL4196306

Brc1ccc2c3c([nH]c2c1)C(NCc1ccccc1)CCC3

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.57
KCNH2 Q12809 1/20 0.53
CDC42 P60953 1/20 0.49
RB1 P06400 8/20 0.46
GAA P10253 1/20 0.43
CASP6 P55212 1/20 0.43
DHODH Q02127 1/20 0.43
BRD3 Q15059 5/20 0.41
PRMT5 O14744 1/20 0.41

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 SCHEMBL4157057 0.99 CYP2D6 (0.56) CYP2D6KCNH2CDC42RB1GAA
SCHEMBL30455081 0.91 CYP2D6 (0.70) CYP2D6KCNH2CDC42RB1GAA
SCHEMBL4191954 0.91 CYP2D6 (0.70) CYP2D6KCNH2CDC42RB1GAA
SCHEMBL22135733 0.91 CYP2D6 (0.70) CYP2D6KCNH2CDC42RB1GAA
Hydrochloric Acid SCHEMBL4160295 0.90 CYP2D6 (0.69) CYP2D6KCNH2CDC42RB1GAA
SCHEMBL5447177 0.89 CYP2D6 (0.55) CYP2D6KCNH2CDC42RB1GAA
SCHEMBL5461722 0.89 BRD3 (0.49) CYP2D6KCNH2CDC42RB1GAA
SCHEMBL4201376 0.88 CYP2D6 (0.65) CYP2D6KCNH2CDC42RB1GAA
Hydrochloric Acid SCHEMBL4165595 0.87 CYP2D6 (0.64) CYP2D6KCNH2CDC42RB1GAA
SCHEMBL22135853 0.86 RB1 (0.62) CYP2D6CDC42RB1GAACASP6

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 CYP2D6 994/4885KCNH2 4356/4885CDC42 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.