SCHEMBL4110641

SCHEMBL4110641

CC(C)(C)OC(=O)N1CCC(CNCCC2C(Nc3nccc(N4CCCCCC4)n3)CCCN2C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.42
▸ TGFBR1 P36897 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ SYK P43405 1/20 0.37
▸ BCDIN3D Q7Z5W3 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ CDK2 P24941 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OGFRL1 Q5TC84 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
SCHEMBL4114594 0.90 GPR119 (0.42) GPR119KDM4ECDK2PDE10ACKS1B
SCHEMBL4116478 0.85 GPR119 (0.40) GPR119PDE10A
SCHEMBL4125832 0.85 GPR119 (0.40) GPR119PDE10A
SCHEMBL13696555 0.83 HRH4 (0.49) —
SCHEMBL13696571 0.83 HRH4 (0.40) —
SCHEMBL4105542 0.83 HRH4 (0.49) —
SCHEMBL4122204 0.81 GPR119 (0.37) GPR119FAAHCDK2PDE10ACKS1B
SCHEMBL2013614 0.80 CXCR4 (0.41) —
SCHEMBL4116420 0.79 CXCR4 (0.43) —
SCHEMBL4114599 0.79 HRH4 (0.40) —

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 123/4885TGFBR1 1094/4885KDM4E 4423/4885

“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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