SCHEMBL12828717

SCHEMBL12828717

CC(C)(C)OC(=O)N1CCC(=C(c2ccccc2)c2nnc(C3CC3)o2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ THRB P10828 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ GPR119 Q8TDV5 5/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HPGDS O60760 2/20 0.41
▸ LIPG Q9Y5X9 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1472933 0.92 SMN1; SMN2 (0.48) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL1472978 0.91 SMN1; SMN2 (0.47) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL12828488 0.85 KDM4E (0.45) SMN1; SMN2THRBGAAKDM4EPKM
SCHEMBL1473057 0.85 KDM4E (0.45) SMN1; SMN2THRBGAAKDM4EPKM
SCHEMBL1474748 0.85 KDM4E (0.44) SMN1; SMN2THRBGAAKDM4EPKM
SCHEMBL1472807 0.84 SMN1; SMN2 (0.43) SMN1; SMN2THRBGAAMAPTKDM4E
SCHEMBL1473500 0.84 GPR119 (0.46) SMN1; SMN2THRBGAAKDM4EPKM
SCHEMBL1473072 0.84 KDM4E (0.43) SMN1; SMN2THRBGAAKDM4EPKM
SCHEMBL12751880 0.83 ADCY1 (0.42) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL12828741 0.83 KDM4E (0.45) SMN1; SMN2THRBGAAMAPTKDM4E

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
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 — — EP 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-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT SMN1; SMN2 4771/4885THRB 4113/4885GAA 1735/4885

“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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