SCHEMBL25687828

SCHEMBL25687828

CCCCC1CCN(c2ccncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.48
SORD Q00796 1/20 0.45
LSS P48449 1/20 0.40
RIPK1 Q13546 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
MAPT P10636 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
PARP1 P09874 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
DRD4 P21917 1/20 0.37
AVPR1A P37288 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
CHRM4 P08173 1/20 0.36
CYP2D6 P10635 1/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL13744594 0.91 GPR119 (0.50) GPR119SORDLSSRIPK1JAK2
SCHEMBL12424487 0.85 GPR119 (0.49) GPR119SORDLSSRIPK1JAK2
SCHEMBL21101183 0.82 GPR119 (0.47) GPR119SORDLSSRIPK1JAK2
SCHEMBL26972637 0.79 GPR119 (0.44) GPR119SORDLSSRIPK1JAK2
SCHEMBL26972630 0.79 GPR119 (0.44) GPR119SORDLSSRIPK1JAK2
SCHEMBL4771414 0.79 SORD (0.49) GPR119SORDLSSRIPK1JAK2
SCHEMBL6066639 0.79 CHEK1 (0.52) GPR119SORDLSSRIPK1JAK2
SCHEMBL16597339 0.79 SORD (0.56) GPR119SORDLSSRIPK1JAK2
SCHEMBL803304 0.78 ROCK2 (0.50) GPR119SORDLSSRIPK1JAK2
SCHEMBL13745108 0.78 GPR119 (0.52) GPR119SORDLSSRIPK1GPBAR1

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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 GPR119 1550/4885SORD 4831/4885LSS 2928/4885

“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.