SCHEMBL3058766

SCHEMBL3058766

CC(C)(C)C(=O)N(Cc1ccc(NCC2CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.45
VNN1 O95497 2/20 0.39
GABRA5 P31644 1/20 0.39
ABL1 P00519 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
IKBKB O14920 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ACHE P22303 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL3058152 0.86 CYP11B1 (0.43) CRHR1VNN1IRAK4
SCHEMBL8168504 0.86 HCAR3 (0.41) ALDH1A1
SCHEMBL3063804 0.83 VNN1 (0.40) VNN1ALDH1A1
SCHEMBL3828503 0.81 IKBKB (0.45) CRHR1VNN1GABRA5IKBKBACHE
SCHEMBL3063091 0.78 CYP3A4 (0.42) ALDH1A1
SCHEMBL3058763 0.77 CACNA1H (0.41) GRIN2BALDH1A1
SCHEMBL3071604 0.77 BCL2A1 (0.44) ALDH1A1
SCHEMBL3056261 0.76 POLB (0.41)
SCHEMBL3049292 0.76 HRH3 (0.38) GRIN2BOPRM1
SCHEMBL3063600 0.75 POLB (0.45)

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 4 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

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 CRHR1 583/4885VNN1 3927/4885GABRA5 375/4885

“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.