SCHEMBL1733613

SCHEMBL1733613

CC(C)(C)OC(=O)N1CCN(C(=N)c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
GPR119 Q8TDV5 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
ABCB1 P08183 1/20 0.48
POLB P06746 1/20 0.47
DTYMK P23919 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ESRRB O95718 1/20 0.46

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
SCHEMBL1374093 0.84 MEN1 (0.68) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL13464773 0.83 KDM4E (0.55) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL19145136 0.82 KDM4E (0.54) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL14122007 0.82 SETD7 (0.52) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL14121985 0.82 SETD7 (0.52) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL14121618 0.82 SETD7 (0.52) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL14122216 0.81 KDM4E (0.53) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL8695092 0.79 KDM4E (0.52) KDM4EPKMGPR119MEN1KMT2A
SCHEMBL14122068 0.79 GPR119 (0.55) GPR119CKS1BSKP1SKP2CHRM2
SCHEMBL15149504 0.79 GPR119 (0.51) GPR119MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696937-B1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-05-17 EP disclosed
US-20130102615-A1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-25 US disclosed
EP-1943221-B1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
EP-1943221-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2008-07-16 EP disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
WO-2007041616-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
WO-2007041616-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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 (2 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-20130102615-A1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS CD4, TAF15, ACIN1 KDM4E 2352/4885PKM 2385/4885GPR119 2873/4885
US-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 KDM4E 1588/4885PKM 2789/4885GPR119 1733/4885

“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.