SCHEMBL4128283

SCHEMBL4128283

O=C(OCc1ccccc1)N1CCC(n2cc(Br)c(-c3ccncc3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.53
CYP2D6 P10635 4/20 0.53
CYP2C9 P11712 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 1/20 0.48
CYP3A4 P08684 3/20 0.48
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL4133266 0.78 GRIN2B (0.56) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL4462505 0.74 GRIN2B (0.66) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL27059331 0.73 SMN1; SMN2 (0.59) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL28978073 0.72 SMN1; SMN2 (0.53) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL2896415 0.72 SMN1; SMN2 (0.76) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL19732305 0.72 SMN1; SMN2 (0.57) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL15018080 0.71 SMN1; SMN2 (0.60) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL5633495 0.71 SMN1; SMN2 (0.56) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL1851354 0.71 SMN1; SMN2 (0.74) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1
SCHEMBL25172797 0.71 SMN1; SMN2 (0.50) GRIN2BCYP2D6CYP2C9SMN1; SMN2NPC1

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-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS LAIRD ELLEN 2009-07-09 US disclosed
US-7491829-B2 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. (US) 2009-02-17 US disclosed
EP-1846391-A2 RAF INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2007-10-24 EP disclosed
US-20060189627-A1 RAF inhibitor compounds and methods ARRAY BIOPHARMA INC. 2006-08-24 US disclosed
WO-2006084015-A2 RAF INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-08-10 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 (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-20060189627-A1 RAF inhibitor compounds and methods BRAF, RAF1, ARAF GRIN2B 4343/4885CYP2D6 3993/4885CYP2C9 4377/4885
US-20090176809-A1 RAF INHIBITOR COMPOUNDS AND METHODS BRAF, RAF1, ARAF GRIN2B 4343/4885CYP2D6 3993/4885CYP2C9 4377/4885

“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.