SCHEMBL22944895

SCHEMBL22944895

CCC1(CNC)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.39
SLC6A3 Q01959 18/20 0.37
SLC6A2 P23975 8/20 0.37

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
SCHEMBL25819859 0.97 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2
SCHEMBL18602892 0.92
SCHEMBL22944898 0.81 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL19779413 0.78 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL10867170 0.78 USP2 (0.33)
SCHEMBL198218 0.78 USP2 (0.33)
SCHEMBL258121 0.78 USP2 (0.33)
SCHEMBL29291476 0.78 USP2 (0.33)
SCHEMBL29291475 0.78 USP2 (0.33)
SCHEMBL24258293 0.76 SLC6A4 (0.37) SLC6A4SLC6A3SLC6A2

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-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-06-17 US disclosed
WO-2021021979-A2 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPAPEUTICS, INC. (US) 2021-02-04 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-20210177856-A1 USE OF ATR INHIBITORS IN COMBINATION WITH PARP INHIBITORS ATR, MRE11, PARP2 SLC6A4 4813/4885SLC6A3 4863/4885SLC6A2 4528/4885

“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.