SCHEMBL20559673

SCHEMBL20559673

O=Cc1cnn(CCC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.38
ROCK1 Q13464 1/20 0.34
HDAC2 Q92769 3/20 0.32
SCD5 Q86SK9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL3319742 0.82 HDAC2 (0.36) ROCK1HDAC2
SCHEMBL31115874 0.80 MAPT (0.33) HDAC2L3MBTL1
SCHEMBL122032 0.77 KIT (0.36) HDAC2L3MBTL1JAK2JAK1
SCHEMBL1436338 0.77 PSD (0.34) HDAC2L3MBTL1
SCHEMBL1197473 0.77 L3MBTL1 (0.51) HDAC2L3MBTL1
SCHEMBL26017061 0.74 L3MBTL1 (0.31) L3MBTL1
SCHEMBL177295 0.74 L3MBTL1 (0.41) HDAC2L3MBTL1
SCHEMBL26066445 0.74 KDM4E (0.32) L3MBTL1
SCHEMBL3321417 0.74 PDK2 (0.36) HDAC2L3MBTL1JAK2JAK1
SCHEMBL15463236 0.73 LMNA (0.41) FADS1ROCK1SCD5L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US disclosed
EP-3404021-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2018-11-21 EP 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-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E FADS1 3402/4885ROCK1 3409/4885HDAC2 694/4885
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E FADS1 3334/4885ROCK1 3936/4885HDAC2 671/4885

“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.