SCHEMBL10194679

SCHEMBL10194679

CC1(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.54
SLC6A3 Q01959 9/20 0.53
SLC6A2 P23975 2/20 0.53
CCR6 P51684 4/20 0.41
KCNH2 Q12809 2/20 0.41
PTGS2 P35354 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL22816525 0.87 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CCR6KCNH2
SCHEMBL22816518 0.86 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2PTGS2
SCHEMBL22816521 0.85 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2CCR6KCNH2
SCHEMBL26394931 0.85 SLC6A4 (0.48) SLC6A4SLC6A3SLC6A2CCR6KCNH2
SCHEMBL28216814 0.78 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2CCR6KCNH2
SCHEMBL18151881 0.76 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2PTGS2KDM1A
SCHEMBL1677166 0.76 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2PTGS2KDM1A
SCHEMBL28888791 0.76 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2PTGS2KDM1A
SCHEMBL10157208 0.76 SLC6A4 (0.65) SLC6A4SLC6A3SLC6A2PTGS2KDM1A
SCHEMBL26394892 0.75 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2CCR6KCNH2

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
EP-2414332-B1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-10-23 EP disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B SLC6A4 200/4885SLC6A3 711/4885SLC6A2 532/4885

“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.