SCHEMBL4456613

SCHEMBL4456613

CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.48
HTT P42858 2/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PRMT5 O14744 2/20 0.45
TRPV3 Q8NET8 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGDS O60760 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43

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
SCHEMBL4451814 0.92 STS (0.50) GPR119HTTKDM4EMAPTTHRB
SCHEMBL4454852 0.87 GPR119 (0.51) GPR119HTTKDM4EMAPTTHRB
SCHEMBL4458994 0.85 HTT (0.48) GPR119HTTKDM4EMAPTTHRB
SCHEMBL13422169 0.82 GPR119 (0.48) GPR119HTTKDM4EMAPTTHRB
SCHEMBL30011578 0.82 KDM4E (0.51) GPR119HTTKDM4EMAPTTHRB
SCHEMBL4456363 0.81 CKS1B (0.54) GPR119MAPTALDH1A1PRMT5
SCHEMBL12632984 0.81 RARA (0.52) GPR119HTTKDM4EMAPTTHRB
SCHEMBL16291592 0.80 GPR119 (0.50) GPR119HTTKDM4EMAPTTHRB
SCHEMBL20140593 0.80 HTR1A (0.54) GPR119HTTKDM4EMAPTTHRB
SCHEMBL29518419 0.80 GPR119 (0.50) GPR119HTTKDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 GPR119 185/4885HTT 4698/4885KDM4E 3976/4885

“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.