SCHEMBL5370968

SCHEMBL5370968

O[C@@H](COc1cccc(-c2noc3cc(F)ccc23)c1)CN1CCN(c2ncccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CACNA1G O43497 1/20 0.47
ABCB1 P08183 4/20 0.46
HTR2A P28223 2/20 0.46
DRD2 P14416 2/20 0.46
HTR1A P08908 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5360269 1.00 KDM4E (0.56) KDM4EMEN1KMT2ACACNA1GABCB1
SCHEMBL5360250 1.00 KDM4E (0.56) KDM4EMEN1KMT2ACACNA1GABCB1
SCHEMBL5367014 0.91 KDM4E (0.51) KDM4EMEN1KMT2ACACNA1GABCB1
SCHEMBL5367033 0.91 KDM4E (0.51) KDM4EMEN1KMT2ACACNA1GABCB1
SCHEMBL5370452 0.91 KDM4E (0.51) KDM4EMEN1KMT2ACACNA1GABCB1
SCHEMBL5369007 0.85 USP2 (0.65) MEN1KMT2AHTR2ADRD2HTR1A
SCHEMBL5369015 0.85 USP2 (0.65) MEN1KMT2AHTR2ADRD2HTR1A
SCHEMBL5368418 0.84 KDM4E (0.60) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1385362 0.84 KDM4E (0.60) KDM4EMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5366298 0.83 HTR2A (0.54) HTR2ADRD2HTR1AUSP2PRMT5

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 10 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
EP-1216244-A1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP disclosed
WO-2001019821-A1 BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2001-03-22 WO 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 KDM4E 710/4885MEN1 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.