SCHEMBL1474748

SCHEMBL1474748

CC(C)(C)OC(=O)N1CCC(=C(c2ccccc2)c2nnc(C(C)(C)C)o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.41
▸ GRM5 P41594 5/20 0.41
▸ GRM1 Q13255 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ CKS1B P61024 2/20 0.39
▸ SKP1 P63208 2/20 0.39
▸ SKP2 Q13309 2/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38

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
SCHEMBL12828724 0.92 HDAC4 (0.46) KDM4EPKMGPR119GRM5GRM1
SCHEMBL1473057 0.88 KDM4E (0.45) KDM4EPKMGPR119GRM5GRM1
SCHEMBL12828488 0.88 KDM4E (0.45) KDM4EPKMGPR119GRM5GRM1
SCHEMBL1473072 0.86 KDM4E (0.43) KDM4EPKMGPR119GRM5GRM1
SCHEMBL1473500 0.86 GPR119 (0.46) KDM4EPKMGPR119GRM5GRM1
SCHEMBL12828741 0.85 KDM4E (0.45) KDM4EPKMGPR119GRM5GRM1
SCHEMBL12829040 0.85 KDM4E (0.43) KDM4EPKMGPR119GRM5GRM1
SCHEMBL12828717 0.85 SMN1; SMN2 (0.54) KDM4EPKMGPR119GAATHRB
SCHEMBL1472933 0.83 SMN1; SMN2 (0.48) KDM4EPKMGPR119GRM5GRM1
SCHEMBL24621774 0.83 KDM4E (0.53) KDM4EPKMGPR119GRM5GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — US disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 — — 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT KDM4E 111/4885PKM 3253/4885GPR119 1747/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT KDM4E 127/4885PKM 3587/4885GPR119 1868/4885

“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.

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