SCHEMBL511161

SCHEMBL511161

[CH2]CN1CCN(C(C)CC)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
GPR183 P32249 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL15348806 0.83 KDM4E (0.42) KDM4EGPR183MEN1KMT2AHRH3
SCHEMBL11575106 0.83
SCHEMBL12850091 0.81 KDM4E (0.37) KDM4EGPR183MEN1KMT2AHRH3
SCHEMBL510209 0.79 KDM4E (0.37) KDM4EHRH3
SCHEMBL773035 0.78 DAO (0.37) KDM4EHRH3
SCHEMBL20021301 0.77 PIK3CD (0.45) KDM4EGPR183MEN1KMT2AHRH3
SCHEMBL10284004 0.77 DRD2 (0.38) KDM4EGPR183MEN1KMT2A
SCHEMBL23944974 0.77 OPRD1 (0.41) GPR183MEN1KMT2A
SCHEMBL689895 0.76 KDM4E (0.40) KDM4EGPR183MEN1KMT2AHRH3
SCHEMBL12396796 0.75 KDM4E (0.39) KDM4EGPR183MEN1KMT2AHRH3

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 KDM4E 1270/4885GPR183 842/4885MEN1 2715/4885

“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.