SCHEMBL5458914

SCHEMBL5458914

C[C@@H](NC1CCCc2c1[nH]c1ccc(F)cc21)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.77
KCNH2 Q12809 1/20 0.77
BRD3 Q15059 14/20 0.60
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
CDC42 P60953 1/20 0.47
RB1 P06400 1/20 0.47

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
SCHEMBL5455600 1.00 CYP2D6 (0.77) CYP2D6KCNH2BRD3HTR2AHTR2C
SCHEMBL4194153 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL4195673 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL4149725 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL4172408 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL4199294 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL5461901 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL20537339 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL20537338 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1
SCHEMBL4194377 0.88 CYP2D6 (0.78) CYP2D6KCNH2BRD3CDC42RB1

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
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 CYP2D6 670/4885KCNH2 3684/4885BRD3 529/4885

“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.