SCHEMBL26022693

SCHEMBL26022693

C=C1CCC2CCCCN12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.48
▸ NOS3 P29474 1/20 0.48
▸ AURKA O14965 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ BRCA1 P38398 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL13955039 0.86 NOS1 (0.43) NOS1NOS3AURKATYK2JAK2
SCHEMBL22596444 0.75 NOS3 (0.34) NOS1NOS3L3MBTL1
SCHEMBL6616471 0.75 HTR2C (0.44) NOS1NOS3HTR2CHTR2B
SCHEMBL16854923 0.73 NOS3 (0.48) NOS1NOS3MEN1MAPTBRCA1
SCHEMBL15919925 0.73 NOS3 (0.48) NOS1NOS3MEN1MAPTBRCA1
SCHEMBL8561861 0.73 NOS3 (0.48) NOS1NOS3MEN1MAPTBRCA1
SCHEMBL18685321 0.72 NOS3 (0.35) NOS1NOS3L3MBTL1
SCHEMBL17679887 0.69 PARP1 (0.34) NOS1NOS3
SCHEMBL18535492 0.68 HTR2A (0.37) HTR2CHTR2B
SCHEMBL19487774 0.68 ALDH1A1 (0.32) NOS1NOS3MAPT

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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 — — 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-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR NOS1 2004/4885NOS3 2238/4885AURKA 4797/4885

“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.

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