SCHEMBL1380261

SCHEMBL1380261

OC(COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
ABCB1 P08183 2/20 0.55
CACNA1G O43497 2/20 0.55
KMT2A Q03164 2/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
HTR7 P34969 3/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL5371159 1.00 MAPT (0.55) MAPTABCB1CACNA1GKMT2AMAPK1
SCHEMBL1380255 1.00 MAPT (0.55) MAPTABCB1CACNA1GKMT2AMAPK1
SCHEMBL5367033 0.90 KDM4E (0.51) MAPTABCB1CACNA1GKMT2AALDH1A1
SCHEMBL5367014 0.90 KDM4E (0.51) MAPTABCB1CACNA1GKMT2AALDH1A1
SCHEMBL5370452 0.90 KDM4E (0.51) MAPTABCB1CACNA1GKMT2AALDH1A1
SCHEMBL1379950 0.89 MAPT (0.54) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL1379956 0.89 MAPT (0.54) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL5359251 0.89 MAPT (0.54) MAPTKMT2AMAPK1ALDH1A1LMNA
SCHEMBL5370501 0.88 PKM (0.56) ABCB1KMT2AMAPK1L3MBTL1ALDH1A1
SCHEMBL5370489 0.88 PKM (0.56) ABCB1KMT2AMAPK1L3MBTL1ALDH1A1

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 9 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-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 MAPT 347/4885ABCB1 388/4885CACNA1G 3079/4885

“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.