SCHEMBL12829039

SCHEMBL12829039

CC(C)(C)OC(=O)N1CCC(=C(c2ccccc2)c2cnco2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.45
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ GBA1 P04062 1/20 0.41
▸ GRM5 P41594 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
SCHEMBL24621774 0.83 KDM4E (0.53) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL1475231 0.80 GPR119 (0.45) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL1472697 0.78 GPR119 (0.47) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL1473049 0.78 FNTA (0.46) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL1473046 0.78 GPR119 (0.45) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL1472918 0.78 GPR119 (0.48) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL1473057 0.76 KDM4E (0.45) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL22491470 0.76 MEN1 (0.44) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL12828488 0.76 KDM4E (0.45) GPR119CKS1BSKP1SKP2FNTA
SCHEMBL1473141 0.76 FNTA (0.43) GPR119CKS1BSKP1SKP2FNTA

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
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-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
EP-1751161-B1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2010-07-14 — — EP disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — US disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 — — 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 (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-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 GPR119 362/4885CKS1B 956/4885SKP1 3216/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT GPR119 1747/4885CKS1B 1673/4885SKP1 465/4885

“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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