SCHEMBL3048341

SCHEMBL3048341

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM1 Q13255 5/20 0.34
HTR2C P28335 1/20 0.34
SLC9A5 Q14940 1/20 0.34
LMNA P02545 2/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ROCK2 O75116 1/20 0.32
LIMK1 P53667 1/20 0.32
ROCK1 Q13464 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
SCHEMBL3063987 0.82 GRIN1 (0.43) MEN1KMT2AGRM1LMNA
SCHEMBL4734186 0.82 GRM1 (0.45) MEN1KMT2AGRM1MAPTALDH1A1
SCHEMBL3071349 0.79 LMNA (0.38) MEN1KMT2AL3MBTL1LMNAACHE
SCHEMBL3060078 0.77 GRM1 (0.35) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL3055945 0.74 MEN1 (0.41) MEN1KMT2AL3MBTL1GRM1LMNA
SCHEMBL3063760 0.74 GRM1 (0.37) MEN1KMT2AL3MBTL1GRM1LMNA
SCHEMBL3055944 0.74 CXCR1 (0.42) MEN1KMT2A
SCHEMBL3068075 0.71 MAPT (0.35) MEN1KMT2AL3MBTL1GRM1LMNA
SCHEMBL3066236 0.71 SMN1; SMN2 (0.43) L3MBTL1LMNAMAPTALDH1A1
SCHEMBL3065115 0.70 GRIN1 (0.42) L3MBTL1GRM1

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 6 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

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 ADORA2A 343/4885ADORA2B 323/4885ADORA1 213/4885

“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.