SCHEMBL805456

SCHEMBL805456

CCC1(c2ccccc2Cl)CCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.51
GRIN2A Q12879 4/20 0.51
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
SLC6A4 P31645 10/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
CACNA1C Q13936 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 9/20 0.38
SLC6A2 P23975 4/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL805454 0.92 GRIN1 (0.50) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL9574477 0.80 SLC6A4 (0.60) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL805452 0.77 ESR1 (0.43) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL11681179 0.76 HDAC4 (0.47) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL16029495 0.74 HDAC4 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL27861790 0.74 GRIN1 (0.42) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL17761222 0.74 HDAC4 (0.46) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL15621613 0.74 GRIN1 (0.45) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL18114514 0.73 SLC6A3 (0.45) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL2335346 0.72 MAOA (0.52) SLC6A4SLC6A3SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 GRIN1 854/4885GRIN2A 1273/4885GRIN2D 833/4885

“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.