SCHEMBL22032685

SCHEMBL22032685

CC1=CC(O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.41
GPR119 Q8TDV5 4/20 0.41
NAMPT P43490 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
PREP P48147 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL19978859 0.79 GPR119 (0.37) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL19978789 0.79 GPR119 (0.37) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL22032711 0.79 NAMPT (0.39) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL20647832 0.76 NR1H2 (0.51) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL16903485 0.76 NR1H2 (0.51) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL16903487 0.76 NR1H2 (0.51) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL20647830 0.76 NR1H2 (0.51) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL1257642 0.73 USP2 (0.43) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL19230405 0.73 NR1H2 (0.42) NR1H2GPR119NAMPTUSP2SMN1; SMN2
SCHEMBL17081077 0.72 NR1H2 (0.44) NR1H2GPR119NAMPTUSP2SMN1; SMN2

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-20220380309-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-12-01 US disclosed
WO-2020117942-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 WO disclosed
WO-2020117942-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 WO 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-20220380309-A1 CHOLINE METABOLISM INHIBITORS CHKB, CRAT, HNMT NR1H2 360/4885GPR119 82/4885NAMPT 141/4885

“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.