SCHEMBL3063304

SCHEMBL3063304

CC(C)(C)C(=O)N(Cc1csc(N2CCCCC2)n1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 13/20 0.41
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL3065981 1.00 DNM1L (0.41) DNM1LMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL3053794 1.00 DNM1L (0.41) DNM1LMAPK1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL3067985 0.99 DNM1L (0.40) DNM1LMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL3058545 0.99 SMN1; SMN2 (0.40) DNM1LMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL3062918 0.91 L3MBTL1 (0.46) MAPK1SMN1; SMN2LMNAMAPTHTT
SCHEMBL3061649 0.91 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2LMNAMAPTHTT
SCHEMBL3058876 0.91 DNM1L (0.40) DNM1LL3MBTL1
SCHEMBL3065083 0.90 AOC3 (0.46) MAPK1SMN1; SMN2LMNAMAPTHTT
SCHEMBL3059056 0.90 AR (0.47) DNM1LMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL3057967 0.89 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S DNM1L 1372/4885MAPK1 2929/4885SMN1; SMN2 1950/4885

“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.