SCHEMBL5360217

SCHEMBL5360217

OC(CNCc1ccccc1F)COc1ccc(-c2noc3cc(F)ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
POLB P06746 1/20 0.39
AOC3 Q16853 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MAPK14 Q16539 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL5360239 1.00 NPC1 (0.41) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL5360207 1.00 NPC1 (0.41) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL1381151 0.93 NPC1 (0.43) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL1381147 0.93 NPC1 (0.43) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL1385126 0.91 NPC1 (0.40) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL5359762 0.91 NPC1 (0.40) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL5359754 0.91 NPC1 (0.40) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL5368382 0.90 TP53 (0.45) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL1382574 0.90 TP53 (0.45) NPC1MEN1KMT2AHTR2AHTR1A
SCHEMBL1382571 0.90 TP53 (0.45) NPC1MEN1KMT2AHTR2AHTR1A

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 6 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-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 2469/4885MEN1 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.