SCHEMBL4114594

SCHEMBL4114594

CC(C)(C)OC(=O)N1CCC(C(=O)NCCC2C(Nc3nccc(N4CCCCCC4)n3)CCCN2C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.42
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ ALK Q9UM73 5/20 0.37
▸ STS P08842 1/20 0.37
▸ IGF1R P08069 2/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4125832 0.95 GPR119 (0.40) GPR119ABL1RIN1PTPN2PTPN1
SCHEMBL4116478 0.95 GPR119 (0.40) GPR119ABL1RIN1PTPN2PTPN1
SCHEMBL4110641 0.90 GPR119 (0.42) GPR119CDK2PDE10ACKS1BSKP1
SCHEMBL2006614 0.87 CXCR4 (0.40) ALKIGF1RGPBAR1KDM4E
SCHEMBL13696559 0.87 CXCR4 (0.40) ALKIGF1RGPBAR1KDM4E
SCHEMBL13696560 0.86 GPBAR1 (0.38) ALKIGF1RGPBAR1KDM4EALDH1A1
SCHEMBL2014026 0.86 GPBAR1 (0.38) ALKIGF1RGPBAR1KDM4EALDH1A1
SCHEMBL4105443 0.85 HRH4 (0.41) ALKIGF1RGPBAR1
SCHEMBL2011401 0.85 HRH4 (0.41) ALKIGF1RGPBAR1
SCHEMBL2014328 0.85 HRH4 (0.41) ALKIGF1RGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — EP 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-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF CXCR4, CXCR1, CXCL12 GPR119 123/4885ABL1 1108/4885RIN1 160/4885

“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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