SCHEMBL17722437

SCHEMBL17722437

CCOC(=O)c1c(I)nn2c1CN(C(=O)OC(C)(C)C)CC2CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.38
▸ NR1H2 P55055 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PREP P48147 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL16699786 0.87 NR1H2 (0.39) ADORA1GPR119NR1H2NPSR1MEN1
SCHEMBL16700157 0.87 ADORA1 (0.37) ADORA1GPR119ALDH1A1NPSR1LMNA
SCHEMBL16709027 0.86 NR1H2 (0.38) ADORA1GPR119NR1H2MEN1KMT2A
SCHEMBL17718021 0.84 NR1H2 (0.40) GPR119NR1H2ALDH1A1MEN1KMT2A
SCHEMBL16709025 0.78 NR1H2 (0.37) NR1H2PREP
SCHEMBL16699234 0.78 ADORA1 (0.48) ADORA1GPR119NR1H2ALDH1A1NPSR1
SCHEMBL16701002 0.75 GLA (0.37) ADORA1GPR119ALDH1A1NPSR1LMNA
SCHEMBL17722432 0.74 ADORA1 (0.32) ADORA1NR1H2
SCHEMBL16711114 0.73 ADORA1 (0.37) ADORA1GPR119NR1H2ALDH1A1NPSR1
SCHEMBL21131032 0.72 BTK (0.35) ADORA1GPR119NR1H2

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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 — — 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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 ADORA1 3797/4885GPR119 2449/4885NR1H2 3799/4885

“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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