SCHEMBL22650329

SCHEMBL22650329

COC(O)Cc1cc(F)ccc1C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.38
HTR2C P28335 3/20 0.37
CFTR P13569 1/20 0.37
BACE1 P56817 1/20 0.35
APLNR P35414 2/20 0.35
HTR2A P28223 3/20 0.34
SLC6A4 P31645 8/20 0.34
SLC6A3 Q01959 6/20 0.34
PDE1C Q14123 2/20 0.33
PDE1B Q01064 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL23426186 1.00 SLC6A2 (0.38) SLC6A2HTR2CCFTRBACE1APLNR
SCHEMBL21767420 0.79 CFTR (0.42) SLC6A2HTR2CCFTRAPLNRHTR2A
SCHEMBL21780595 0.79 CFTR (0.42) SLC6A2HTR2CCFTRAPLNRHTR2A
SCHEMBL31072015 0.79 CFTR (0.42) SLC6A2HTR2CCFTRAPLNRHTR2A
SCHEMBL29429452 0.79 CFTR (0.42) SLC6A2HTR2CCFTRAPLNRHTR2A
SCHEMBL31071934 0.79 CFTR (0.42) SLC6A2HTR2CCFTRAPLNRHTR2A
SCHEMBL21767551 0.79 CFTR (0.42) SLC6A2HTR2CCFTRAPLNRHTR2A
SCHEMBL23647736 0.75 CYP1A2 (0.39) SLC6A2CFTRAPLNR
SCHEMBL21767595 0.75 PTGDR2 (0.40) CFTR
SCHEMBL21767407 0.75 PTGDR2 (0.40) CFTR

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-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 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-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV SLC6A2 3316/4885HTR2C 4761/4885CFTR 1951/4885

“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.