SCHEMBL23385992

SCHEMBL23385992

C[C@@H](c1ccc2c(c1N)CCC2)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
JAK3 P52333 1/20 0.31
CES1 P23141 1/20 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
SCHEMBL23385609 1.00 NOS3 (0.31) NOS3NOS1NOS2JAK3CES1
SCHEMBL28913110 1.00 NOS3 (0.31) NOS3NOS1NOS2JAK3CES1
SCHEMBL23385468 0.97 NOS3 (0.31) NOS3NOS1NOS2CES1
SCHEMBL23360956 0.97 NOS3 (0.31) NOS3NOS1NOS2CES1
SCHEMBL23360954 0.97 NOS3 (0.31) NOS3NOS1NOS2CES1
SCHEMBL23385457 0.95 NOS3 (0.32) NOS3NOS1NOS2CES1
SCHEMBL23385391 0.95 NOS3 (0.32) NOS3NOS1NOS2CES1
SCHEMBL23385446 0.95 NOS3 (0.32) NOS3NOS1NOS2CES1
SCHEMBL23385783 0.85
SCHEMBL23385565 0.85

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-20220411392-A1 Amide Derivative And Preparation Method Therefore And Use Thereof In Medicine CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) 2022-12-29 US disclosed
CN-112851607-A Amide derivative, preparation method and medical application thereof 成都百裕制药股份有限公司 2021-05-28 CN disclosed
WO-2021093820-A1 AMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-05-20 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-20220411392-A1 Amide Derivative And Preparation Method Therefore And Use Thereof In Medicine NLRP3, NLRP1, PYCARD NOS3 1381/4885NOS1 1310/4885NOS2 1684/4885

“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.