SCHEMBL4297608

SCHEMBL4297608

COCCCC(=O)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.44
GNAO1 P09471 4/20 0.44
GNAI1 P63096 4/20 0.44
ATM Q13315 1/20 0.44
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2701784 0.95 GNAI3 (0.47) GNAI3GNAO1GNAI1ATMGLA
SCHEMBL4290518 0.89 MEN1 (0.44) GNAI3GNAO1GNAI1ATMGLA
SCHEMBL18526705 0.83 ATM (0.65) ATMGLAMEN1KMT2ANPC1
SCHEMBL24476755 0.83 GAA (0.41) GNAI3GNAO1GNAI1GLAMEN1
SCHEMBL9415827 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATMMEN1
SCHEMBL10337915 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATMMEN1
SCHEMBL9415769 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATMMEN1
SCHEMBL16756662 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1ATMMEN1
SCHEMBL12282233 0.80 KMT2A (0.52) GNAI3GNAO1GNAI1ATMGLA
SCHEMBL27294527 0.80 ATM (0.45) GNAI3GNAI1ATMGLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 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 (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-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 GNAI3 2079/4885GNAO1 1223/4885GNAI1 1306/4885

“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.