SCHEMBL3301884

SCHEMBL3301884

CCOC(=O)c1cnn(-c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
CHEK2 O96017 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1375168 0.85 GPR119 (0.61) GPR119NPSR1CHEK2POLB
SCHEMBL3311014 0.85 GPR119 (0.50) GPR119ALDH1A1KMT2ANPBWR1MCHR1
SCHEMBL3310526 0.82 HRH3 (0.49)
SCHEMBL3310132 0.82 HRH3 (0.47) ALDH1A1POLB
SCHEMBL3306676 0.81 WNT1 (0.42) CHEK2
SCHEMBL20046236 0.80 GPR119 (0.55) GPR119NPSR1CHEK2
SCHEMBL24628561 0.78 GPR119 (0.55) GPR119NPSR1CHEK2HPGD
SCHEMBL31420372 0.78 ALDH1A1 (0.48) GPR119ALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL27152611 0.77 GPR119 (0.51) GPR119ALDH1A1MEN1LMNAGAA
SCHEMBL2979574 0.77 GPR119 (0.54) GPR119MEN1KMT2ACHEK2TP53

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-20100113776-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2010-05-06 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-20100113776-A1 PYRAZOLE DERIVATIVE HRH3, HRH4, HRH1 GPR119 7/4885ALDH1A1 2729/4885MEN1 3118/4885

“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.