SCHEMBL12469501

SCHEMBL12469501

Clc1cccc(N2CCN(CCCSc3nnnn3-c3ccccc3)CC2)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.58
DRD3 P35462 13/20 0.58
SLC6A2 P23975 3/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
DRD4 P21917 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA1A P35348 1/20 0.46

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
SCHEMBL12469487 0.94 SLC6A2 (0.52) DRD2DRD3SLC6A2SLC6A3LMNA
SCHEMBL12469226 0.85 ALDH1A1 (0.48) DRD2DRD3LMNAHTR2AALDH1A1
SCHEMBL12469002 0.84 ALDH1A1 (0.58) SLC6A2SLC6A3LMNATP53SLC6A4
SCHEMBL12469349 0.83 SLC6A2 (0.56) SLC6A2SLC6A3LMNATP53ALDH1A1
SCHEMBL12469049 0.78 ALDH1A1 (0.48) LMNAALDH1A1POLBHPGDTSHR
SCHEMBL12469317 0.77 NPSR1 (0.61) DRD2DRD3SLC6A2SLC6A3HTR2A
SCHEMBL12469234 0.77 ALDH1A1 (0.61) SLC6A2SLC6A3LMNATP53ALDH1A1
SCHEMBL12469411 0.76 SLC6A2 (0.52) DRD2SLC6A2SLC6A3LMNATP53
SCHEMBL12468808 0.75 DRD2 (0.58) DRD2DRD3HTR2ADRD4ADRA1A
SCHEMBL10973042 0.73 ALDH1A1 (0.71) LMNATP53ALDH1A1POLBHPGD

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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES EPIOMED THERAPEUTICS, INC. (US) 2013-10-31 US disclosed
WO-2012051601-A2 HETEROARYLTHIO COMPOUNDS EPIOMED THERAPEUTICS, INC. (US) 2012-04-19 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-20130289047-A1 HETEROARYLTHIO DERIVATIVES AND ANALOGUES NLN, HTT, ABAT DRD2 2163/4885DRD3 2127/4885SLC6A2 65/4885

“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.