SCHEMBL4192405

SCHEMBL4192405

c1ccc(CCNC2CCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RB1 P06400 7/20 0.60
CDC42 P60953 1/20 0.58
BRD3 Q15059 2/20 0.52
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
GRIN2B Q13224 1/20 0.50
PRMT5 O14744 1/20 0.48
CYP2D6 P10635 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
HTR7 P34969 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL4157308 0.99 RB1 (0.60) RB1CDC42BRD3GAACASP6
SCHEMBL31497396 0.91 CDC42 (0.57) RB1CDC42BRD3GAACASP6
SCHEMBL31497427 0.91 RB1 (0.55) RB1CDC42BRD3GAACASP6
SCHEMBL31497362 0.89 CDC42 (0.53) RB1CDC42BRD3GAACASP6
SCHEMBL31497401 0.88 RB1 (0.52) RB1CDC42BRD3GAACASP6
SCHEMBL31497455 0.88 RB1 (0.52) RB1CDC42BRD3GAACASP6
SCHEMBL31497468 0.88 RB1 (0.52) RB1CDC42BRD3GAACASP6
SCHEMBL4191431 0.87 RB1 (0.62) RB1CDC42BRD3GAACASP6
SCHEMBL22135853 0.87 RB1 (0.62) RB1CDC42BRD3GAACASP6
SCHEMBL5447177 0.86 CYP2D6 (0.55) RB1CDC42BRD3GAACASP6

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 7 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
EP-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 WO 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 4460/4885CDC42 1350/4885BRD3 4059/4885

“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.