SCHEMBL5364526

SCHEMBL5364526

OC(CNCC(O)c1ccccc1)COc1ccc(-c2noc3cc(F)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
HTR2A P28223 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
AOC3 Q16853 2/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.38
NPC1 O15118 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL5364731 1.00 POLB (0.41) POLBKDM1AMAOAMAOBMEN1
SCHEMBL5364517 1.00 POLB (0.41) POLBKDM1AMAOAMAOBMEN1
SCHEMBL5371498 0.88 MEN1 (0.51) POLBKDM1AMAOAMAOBMEN1
SCHEMBL5368371 0.88 MEN1 (0.51) POLBKDM1AMAOAMAOBMEN1
SCHEMBL1379709 0.88 MEN1 (0.51) POLBKDM1AMAOAMAOBMEN1
SCHEMBL5367366 0.86 ADRB1 (0.52) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL5365805 0.86 ADRB1 (0.52) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL5365815 0.86 ADRB1 (0.52) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL5360239 0.84 NPC1 (0.41) POLBKDM1AMAOAMAOBMEN1
SCHEMBL5360217 0.84 NPC1 (0.41) POLBKDM1AMAOAMAOBMEN1

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 POLB 3956/4885KDM1A 3226/4885MAOA 194/4885

“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.