SCHEMBL1380552

SCHEMBL1380552

O[C@@H](COc1cccc(-c2noc3ncccc23)c1)CN1CCN(c2n[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CACNA1G O43497 1/20 0.41
ABCB1 P08183 5/20 0.41
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
ADRB3 P13945 2/20 0.40
MAPT P10636 3/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5364972 1.00 MEN1 (0.42) MEN1KMT2AKDM4ECACNA1GABCB1
SCHEMBL5459103 0.84 ADRB3 (0.43) MEN1KMT2AKDM4ECACNA1GABCB1
SCHEMBL5368418 0.83 KDM4E (0.60) MEN1KMT2AKDM4EPRMT5WDR77
SCHEMBL1385362 0.83 KDM4E (0.60) MEN1KMT2AKDM4EPRMT5WDR77
SCHEMBL5368832 0.81 HTR2A (0.48) MEN1KMT2ACACNA1GABCB1ADRB3
SCHEMBL5360123 0.81 HTR2A (0.48) MEN1KMT2ACACNA1GABCB1ADRB3
SCHEMBL5360117 0.81 HTR2A (0.48) MEN1KMT2ACACNA1GABCB1ADRB3
SCHEMBL6935782 0.80 ADRB3 (0.45) MEN1KMT2AKDM4ECACNA1GABCB1
SCHEMBL5368999 0.79 HTR2A (0.58) USP2
SCHEMBL5368991 0.79 HTR2A (0.58) USP2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4806149-B2 2011-11-02 JP claimed
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
EP-1216244-A1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists Aventis Pharmaceuticals Inc. (US) 2002-06-26 EP claimed
WO-2001019821-A1 BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2001-03-22 WO 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 MEN1 4880/4885KMT2A 2351/4885KDM4E 710/4885

“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.