SCHEMBL3060078

SCHEMBL3060078

CCN(c1nc(CN(C(C)=O)c2ccc(F)cc2)cs1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.35
ACHE P22303 1/20 0.35
GRIA2 P42262 7/20 0.35
GRIN2A Q12879 7/20 0.35
GRIN1 Q05586 6/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AVPR1B P47901 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 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
SCHEMBL3822208 0.90 GRM1 (0.34) GRM1GRIA2GRIN2AGRIN1LMNA
SCHEMBL3064059 0.89 GRM1 (0.34) GRM1GRIA2GRIN2AGRIN1LMNA
SCHEMBL3064082 0.87 CNR2 (0.44) GRIA2GRIN2AGRIN1LMNAMEN1
SCHEMBL8187785 0.87 GRM1 (0.33) GRM1GRIA2GRIN2AGRIN1LMNA
SCHEMBL4736753 0.86 GRM1 (0.42) GRM1KMT2AAVPR1B
SCHEMBL3063987 0.84 GRIN1 (0.43) GRM1GRIA2GRIN2AGRIN1LMNA
SCHEMBL3064279 0.84 ENPP2 (0.36) GRM1GRIA2GRIN2AGRIN1AVPR1B
SCHEMBL3820116 0.84 CAPN1 (0.34) GRM1GRIA2GRIN2AGRIN1
SCHEMBL3816250 0.84 CAPN1 (0.34) GRM1GRIA2GRIN2AGRIN1
SCHEMBL3067558 0.84 ENPP2 (0.36) GRM1GRIA2GRIN2AGRIN1AVPR1B

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 GRM1 230/4885ACHE 490/4885GRIA2 253/4885

“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.