SCHEMBL22650305

SCHEMBL22650305

CC[C@H]1CCC(F)(F)CO1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32

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
SCHEMBL14752760 1.00 CACNA1G (0.32) CACNA1GCACNA1HCACNA1I
SCHEMBL21780521 0.80
SCHEMBL16086024 0.78 APLNR (0.34) CACNA1GCACNA1HCACNA1I
SCHEMBL21786378 0.77
SCHEMBL24399385 0.77
SCHEMBL21786387 0.76
SCHEMBL31061886 0.76
SCHEMBL20054497 0.70
SCHEMBL21780566 0.70
SCHEMBL21780563 0.70

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-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
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 (2 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 CACNA1G 167/4885CACNA1H 295/4885CACNA1I 227/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV CACNA1G 167/4885CACNA1H 295/4885CACNA1I 227/4885

“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.