SCHEMBL25652154

SCHEMBL25652154

CCc1cc(C)ncc1CCl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SLC6A2 P23975 11/20 0.39
SLC6A4 P31645 11/20 0.39
SLC6A3 Q01959 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
UHRF1 Q96T88 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL7117731 0.87 NOS3 (0.48) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL25652153 0.79 NOS3 (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL14917587 0.79 NOS3 (0.47) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL25652162 0.78 UHRF1 (0.46) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL25862832 0.78 UHRF1 (0.41) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL21120987 0.77 NOS3 (0.44) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL31651869 0.77 GRIN2D (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL16122569 0.77 GRIN2D (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL25652309 0.76 LMNA (0.44) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL10496086 0.76 NOS3 (0.47) NOS3NOS1NOS2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 US disclosed
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD NOS3 1523/4885NOS1 1826/4885NOS2 1505/4885

“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.