SCHEMBL1305671

SCHEMBL1305671

CCOC(=O)C12CCC(N)(CC1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
OPRM1 P35372 6/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
ATM Q13315 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL10151903 0.93 SMN1; SMN2 (0.38) POLBALOX15MGAMGAASI
SCHEMBL1306329 0.92 ALOX15 (0.41) POLBALOX15MGAMGAASI
Bromide SCHEMBL1494095 0.90 ALOX15 (0.39) POLBALOX15MGAMGAASI
Hydrochloric Acid SCHEMBL755483 0.90 ALOX15 (0.39) POLBALOX15MGAMGAASI
SCHEMBL24189316 0.85 POLB (0.43) POLBALOX15MGAMGAASI
SCHEMBL25408248 0.85 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL18075817 0.83 SMN1; SMN2 (0.39) POLBALOX15MGAMGAASI
SCHEMBL1493761 0.83 MGAM (0.39) POLBALOX15MGAMGAASI
SCHEMBL22640209 0.83 POLB (0.44) POLBALOX15MGAMGAASI
SCHEMBL17893420 0.83 ALDH1A1 (0.46) POLBALOX15MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175043-A1 PYRIDOPYRIMIDINE DERIVATIVE AND USE THEREOF 广东东阳光药业股份有限公司 2024-08-29 WO disclosed
EP-1712547-B1 BICYCLOESTER DERIVATIVE KYORIN SEIYAKU KK (JP) 2011-12-14 EP disclosed
US-8053465-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-08 US disclosed
US-7754757-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20100093825-A1 Bicycloester derivative FUKUDA YASUMICHI 2010-04-15 US disclosed
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-06-19 US disclosed
EP-1712547-A1 BICYCLOESTER DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-10-18 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 (2 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-20100093825-A1 Bicycloester derivative DPP4, DPP7, DPP3 POLB 3346/4885ALOX15 4054/4885MGAM 367/4885
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes DPP4, DPP7, DPP3 POLB 2825/4885ALOX15 3548/4885MGAM 96/4885

“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.