SCHEMBL511341

SCHEMBL511341

COc1ccc(COC(=O)N2CCCCC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.55
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL16825165 0.88 LMNA (0.54) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL511398 0.88 GAA (0.53) ALDH1A1LMNABCL9CTNNB1POLB
SCHEMBL2093255 0.87 LMNA (0.49) ALDH1A1LMNABCL9CTNNB1POLB
SCHEMBL13979952 0.84 KMT2A (0.61) ALDH1A1POLBCYP2C19KMT2AMEN1
SCHEMBL27818439 0.81 GRIN2B (0.56) ALDH1A1LMNABCL9CTNNB1POLB
SCHEMBL16825135 0.80 NPC1 (0.54) ALDH1A1LMNABCL9CTNNB1KMT2A
SCHEMBL15082567 0.78 NPSR1 (0.46) ALDH1A1LMNABCL9CTNNB1CYP2C19
SCHEMBL7742109 0.78 RAB9A (0.45) ALDH1A1LMNAPOLBCYP2C19KMT2A
SCHEMBL15082557 0.78 NPSR1 (0.46) ALDH1A1LMNABCL9CTNNB1CYP2C19
SCHEMBL19942398 0.78 KMT2A (0.57) ALDH1A1BCL9CTNNB1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 ALDH1A1 408/4885LMNA 4573/4885BCL9 2735/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 ALDH1A1 408/4885LMNA 4573/4885BCL9 2735/4885

“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.