SCHEMBL511398

SCHEMBL511398

COc1ccc(COC(=O)N2CCCCC2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 2/20 0.47
HPGD P15428 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
LMNA P02545 4/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 1/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL511341 0.88 ALDH1A1 (0.57) GAASMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL543597 0.85 ENPP2 (0.52) SMN1; SMN2ALDH1A1KMT2AHPGDTSHR
SCHEMBL16825165 0.85 LMNA (0.54) SMN1; SMN2ALDH1A1KMT2AHPGDPTGDR2
SCHEMBL542959 0.84 HPGD (0.43) GAAKMT2AHPGDPTGDR2TSHR
SCHEMBL542951 0.82 ENPP2 (0.54) ALDH1A1KMT2AHPGDPTGDR2NPC1
SCHEMBL16825237 0.79 ENPP2 (0.54) KMT2AHPGDPTGDR2BCL9CTNNB1
SCHEMBL13979952 0.79 KMT2A (0.61) SMN1; SMN2ALDH1A1KMT2AHPGDTSHR
SCHEMBL11715636 0.79 GAA (0.52) GAASMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL542986 0.79 NPSR1 (0.44) SMN1; SMN2ALDH1A1KMT2APTGDR2
SCHEMBL27818439 0.78 GRIN2B (0.56) GAASMN1; SMN2ALDH1A1KMT2AHPGD

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 GAA 3355/4885SMN1; SMN2 311/4885ALDH1A1 408/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 GAA 3355/4885SMN1; SMN2 311/4885ALDH1A1 408/4885

“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.