SCHEMBL5367873

SCHEMBL5367873

COc1cccc(CNC[C@H](O)COc2ccc(-c3noc4cc(F)ccc34)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
DNM1 Q05193 1/20 0.44
POLB P06746 1/20 0.42
ADRB3 P13945 3/20 0.41
KMT2A Q03164 3/20 0.41
ADRB1 P08588 2/20 0.41
MEN1 O00255 2/20 0.41
ADRB2 P07550 1/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5366109 1.00 MAPT (0.47) MAPTNPC1DNM1POLBADRB3
SCHEMBL5366117 1.00 MAPT (0.47) MAPTNPC1DNM1POLBADRB3
SCHEMBL5419191 0.92 NPC1 (0.47) MAPTNPC1POLBADRB3KMT2A
SCHEMBL5378392 0.92 NPC1 (0.47) MAPTNPC1POLBADRB3KMT2A
SCHEMBL5378387 0.92 NPC1 (0.47) MAPTNPC1POLBADRB3KMT2A
SCHEMBL1380940 0.91 NPC1 (0.53) NPC1POLBADRB3KMT2AADRB1
SCHEMBL5362929 0.91 NPC1 (0.53) NPC1POLBADRB3KMT2AADRB1
SCHEMBL1380935 0.91 NPC1 (0.53) NPC1POLBADRB3KMT2AADRB1
SCHEMBL5371498 0.89 MEN1 (0.51) NPC1POLBADRB3KMT2AADRB1
SCHEMBL5368371 0.89 MEN1 (0.51) NPC1POLBADRB3KMT2AADRB1

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 MAPT 347/4885NPC1 2469/4885DNM1 2606/4885

“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.