SCHEMBL510995

SCHEMBL510995

[CH2]CN1CCNCC1C(C)CC

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ATM Q13315 1/20 0.33

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
SCHEMBL511567 0.86 TDP1 (0.37) TDP1
SCHEMBL511996 0.80 TDP1 (0.34) TDP1
SCHEMBL4487051 0.78 TDP1 (0.48) TDP1ATM
SCHEMBL4487058 0.78 TDP1 (0.48) TDP1ATM
SCHEMBL293011 0.77 TDP1 (0.45) TDP1
SCHEMBL14380343 0.76 TDP1 (0.44) TDP1ATM
SCHEMBL6781697 0.72 TDP1 (0.41) TDP1
SCHEMBL27067619 0.72 TDP1 (0.43) TDP1
SCHEMBL27284737 0.72 TDP1 (0.43) TDP1
SCHEMBL25625983 0.71 TDP1 (0.43) TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 TDP1 957/4885ATM 2717/4885

“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.