SCHEMBL5369871

SCHEMBL5369871

O[C@@H](CNCc1cccc(F)c1)COc1cccc(-c2noc3cc(F)ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL1382990 1.00 NPC1 (0.41) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL1382995 1.00 NPC1 (0.41) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5359446 0.94 MEN1 (0.45) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5371441 0.94 MEN1 (0.45) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5359451 0.94 MEN1 (0.45) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5359727 0.94 NPC1 (0.49) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5359736 0.94 NPC1 (0.49) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5359732 0.94 NPC1 (0.49) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5419191 0.92 NPC1 (0.47) NPC1MEN1KMT2AADRB2ADRB1
SCHEMBL5378387 0.92 NPC1 (0.47) NPC1MEN1KMT2AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US claimed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US claimed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP claimed

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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 NPC1 2469/4885MEN1 4880/4885KMT2A 2351/4885

“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.