SCHEMBL3750656

SCHEMBL3750656

CC(C)(C)OC(=O)N1CCC(CCn2cnc(N)c3nc(Br)nc2-3)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
GPR119 Q8TDV5 12/20 0.41
BACE1 P56817 1/20 0.41
BCDIN3D Q7Z5W3 1/20 0.39
TGFBR1 P36897 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3519043 0.86 HSP90AA1 (0.34) TGFBR1
SCHEMBL3740474 0.85 GPR119 (0.44) FAAHGPR119BACE1TGFBR1KDM4E
SCHEMBL3116823 0.81 HSP90AA1 (0.38) TGFBR1
SCHEMBL3116808 0.81 HSP90AA1 (0.38) TGFBR1
SCHEMBL13519786 0.81 HSP90AA1 (0.51)
SCHEMBL3748336 0.81 HSP90AA1 (0.48)
SCHEMBL13519774 0.78 STS (0.44) GPR119BACE1TGFBR1
SCHEMBL13519905 0.78 HSP90AA1 (0.49)
SCHEMBL13519866 0.78 HSP90AA1 (0.49)
SCHEMBL13519857 0.78 HSP90AA1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR FAAH 3886/4885GPR119 672/4885BACE1 752/4885

“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.