SCHEMBL1383583

SCHEMBL1383583

COc1cccc(CNC[C@@H](O)COc2cccc(-c3noc4ncccc34)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.47
KDM4E B2RXH2 1/20 0.43
BCHE P06276 1/20 0.41
ADRB3 P13945 3/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
CASR P41180 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LIPG Q9Y5X9 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
SCHEMBL1383590 1.00 DNM1 (0.47) DNM1KDM4EBCHEADRB3KMT2A
SCHEMBL1381117 0.91 ADRB2 (0.42) ADRB3KMT2AALDH1A1POLBADRB2
SCHEMBL1381112 0.91 ADRB2 (0.42) ADRB3KMT2AALDH1A1POLBADRB2
SCHEMBL5369063 0.90 NPC1 (0.38) DNM1ADRB3KMT2AMAPTADRB2
SCHEMBL5369054 0.90 NPC1 (0.38) DNM1ADRB3KMT2AMAPTADRB2
SCHEMBL5365138 0.89 NPC1 (0.48) DNM1ADRB3KMT2AADRB2ADRB1
SCHEMBL5365124 0.89 NPC1 (0.48) DNM1ADRB3KMT2AADRB2ADRB1
SCHEMBL1382538 0.87 NPC1 (0.48) DNM1ADRB3KMT2AMAPTPOLB
SCHEMBL1382533 0.87 NPC1 (0.48) DNM1ADRB3KMT2AMAPTPOLB
SCHEMBL5368549 0.80 DYRK1A (0.53) ALDH1A1MAPTHPGDTP53

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
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

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 DNM1 2606/4885KDM4E 710/4885BCHE 1369/4885

“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.