SCHEMBL805452

SCHEMBL805452

CCC1(c2ccccc2F)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
HDAC4 P56524 3/20 0.41
SLC6A3 Q01959 6/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 3/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HSD11B1 P28845 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL805453 0.92 HDAC4 (0.40) ESR1HDAC4SLC6A3SLC6A4SLC6A2
SCHEMBL15043623 0.81 ESR1 (0.44) ESR1HDAC4SLC6A3SLC6A4SLC6A2
SCHEMBL4013884 0.81 SLC6A3 (0.60) ESR1HDAC4SLC6A3SLC6A4SLC6A2
SCHEMBL14893972 0.81 HDAC4 (0.45) ESR1HDAC4SLC6A3SLC6A4SLC6A2
SCHEMBL9004269 0.80 HDAC4 (0.46) ESR1HDAC4SLC6A3SLC6A4SLC6A2
SCHEMBL15043621 0.80 SLC6A3 (0.44) ESR1HDAC4SLC6A3SLC6A4SLC6A2
SCHEMBL19831806 0.78 PSEN1 (0.40) SLC6A3SLC6A4SLC6A2KDM1APSEN1
SCHEMBL23251457 0.78 BACE1 (0.40) HDAC4SLC6A3SLC6A4SLC6A2
SCHEMBL805456 0.77 GRIN1 (0.51) HDAC4SLC6A3SLC6A4SLC6A2KDM1A
SCHEMBL7251147 0.77 ESR1 (0.43) ESR1HDAC4SLC6A3SLC6A4SLC6A2

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 ESR1 1350/4885HDAC4 2231/4885SLC6A3 1597/4885

“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.