SCHEMBL25801669

SCHEMBL25801669

CC(C)N1CCCC1CC#N

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.33
DPP4 P27487 2/20 0.31
GLP1R P43220 1/20 0.30
CHEK1 O14757 2/20 0.30

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
SCHEMBL25801578 0.88
SCHEMBL25081415 0.79 CTSS (0.32)
SCHEMBL25081383 0.79 CTSS (0.32)
SCHEMBL25081824 0.79 CTSS (0.32)
SCHEMBL25081380 0.78
SCHEMBL25081430 0.78
SCHEMBL6467314 0.77 CHRNB2 (0.32) CHRM3
SCHEMBL2444679 0.75 HTT (0.39) CHRM3DPP4
SCHEMBL58010 0.75 CHRM3 (0.35) CHRM3
SCHEMBL4373968 0.75 HTT (0.39) CHRM3DPP4

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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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-20230212180-A1 SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PTPN5, PTPN1, PTPN2 CHRM3 3704/4885DPP4 719/4885GLP1R 460/4885

“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.