SCHEMBL4645381

SCHEMBL4645381

CN1C[C@H](C(N)C(=O)OC(C)(C)C)[C@@H](C(N)C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
NR1H2 P55055 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
DGAT1 O75907 1/20 0.31
ATM Q13315 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
SCHEMBL4641765 0.76 NOS1 (0.31) NOS1NOS3NOS2
SCHEMBL27725505 0.74 CYP2D6 (0.36)
SCHEMBL24187676 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1
SCHEMBL24187675 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1
SCHEMBL23794770 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1
SCHEMBL23794700 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1
SCHEMBL23794699 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1
SCHEMBL23794754 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1
SCHEMBL24187677 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1
SCHEMBL23794753 0.74 CHRM2 (0.33) NOS1NOS3NOS2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 EP 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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 NOS1 898/4885NOS3 1228/4885NOS2 552/4885

“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.