SCHEMBL458608

SCHEMBL458608

COc1cc(C#N)ccc1OCCCCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.51
ICMT O60725 2/20 0.49
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
FDPS P14324 3/20 0.47
SLC6A4 P31645 1/20 0.46
MAPT P10636 3/20 0.45
USP2 O75604 2/20 0.45
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42

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
SCHEMBL5531819 0.90 AR (0.54) ARICMTPPARDPPARAFDPS
SCHEMBL29578385 0.90 TRPV4 (0.43) ARICMTPPARDPPARASLC6A4
SCHEMBL7222806 0.88 KIT (0.46) ARICMTPPARDPPARAFDPS
SCHEMBL2163665 0.87 AR (0.55) ARICMTPPARDPPARAFDPS
SCHEMBL12460717 0.86 AR (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL12460720 0.86 AR (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL1545129 0.86 AR (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL457823 0.86 AR (0.50) ARICMTPPARDPPARAFDPS
SCHEMBL523551 0.85 MPO (0.54) ARICMTPPARDPPARAFDPS
SCHEMBL5648357 0.85 ICMT (0.53) ARICMTPPARDPPARAFDPS

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-9000221-B2 Processes for the preparation of 4′-[3-[4-(6-Fluoro-1 ,2-benzisoxazol-3-yl)piperidino]propoxy]-3′-methoxyacetophenone and intermediates thereof SYMED LABS LIMITED (IN) 2015-04-07 US disclosed
US-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-07-25 US disclosed
US-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US disclosed
US-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US disclosed
US-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US disclosed
WO-2012032532-A1 \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ SYMED LABS LIMITED (IN) 2012-03-15 WO disclosed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US disclosed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US disclosed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US disclosed
EP-2251332-A1 THE AROMATIC RING TRIAZINE DERIVATIVES AND THE USES THEREOF Shenyang Pharmaceutical University (CN) 2010-11-17 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 (2 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-20130190501-A1 PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF CYP4B1, CYP4X1, CYP3A4 AR 2013/4885ICMT 2052/4885PPARD 1107/4885
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF KDR, FLT1, FLT4 AR 449/4885ICMT 4838/4885PPARD 1089/4885

“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.