SCHEMBL5366943

SCHEMBL5366943

Cc1ccc(CNC[C@@H](O)COc2ccc(-c3noc4cc(F)ccc34)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTR2A P28223 3/20 0.42
POLB P06746 2/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
PIK3CG P48736 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
THRB P10828 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
SCHEMBL1380929 1.00 NPC1 (0.64) NPC1KMT2AMEN1HTR2APOLB
SCHEMBL5366956 1.00 NPC1 (0.64) NPC1KMT2AMEN1HTR2APOLB
SCHEMBL5362559 0.94 NPC1 (0.57) NPC1KMT2AMEN1HTR2AHTR1A
SCHEMBL5362553 0.94 NPC1 (0.57) NPC1KMT2AMEN1HTR2AHTR1A
SCHEMBL5371365 0.94 NPC1 (0.57) NPC1KMT2AMEN1HTR2AHTR1A
SCHEMBL5362929 0.93 NPC1 (0.53) NPC1KMT2AMEN1HTR2APOLB
SCHEMBL1380940 0.93 NPC1 (0.53) NPC1KMT2AMEN1HTR2APOLB
SCHEMBL1380935 0.93 NPC1 (0.53) NPC1KMT2AMEN1HTR2APOLB
SCHEMBL5362931 0.91 NPC1 (0.51) NPC1KMT2AMEN1HTR2AHTR1A
SCHEMBL5363294 0.91 NPC1 (0.51) NPC1KMT2AMEN1HTR2AHTR1A

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 8 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
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 NPC1 2469/4885KMT2A 2351/4885MEN1 4880/4885

“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.