SCHEMBL13809128

SCHEMBL13809128

CCOC1CNC(CO)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.32
NOS1 P29475 6/20 0.32
NOS2 P35228 6/20 0.32
GLB1 P16278 1/20 0.31

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
SCHEMBL18094005 1.00 NOS3 (0.32) NOS3NOS1NOS2GLB1
SCHEMBL16399313 1.00 NOS3 (0.32) NOS3NOS1NOS2GLB1
Hydrochloric Acid SCHEMBL18094041 0.98 NOS3 (0.31) NOS3NOS1NOS2GLB1
SCHEMBL17691235 0.84 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL16399296 0.84 GLB1 (0.36) NOS3NOS1NOS2GLB1
SCHEMBL18569715 0.84 GLB1 (0.36) NOS3NOS1NOS2GLB1
SCHEMBL2146003 0.81
SCHEMBL10304892 0.81
SCHEMBL2146208 0.81
SCHEMBL1584588 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004084-B1 SUBSTITUTED BENZOXAZOLES Bayer Pharma AG (DE) 2017-03-01 EP disclosed
US-7553976-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2009-06-30 US disclosed
US-7459558-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-02 US disclosed
US-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-07-31 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-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADRB2, ADRA2C, PNMT NOS3 1155/4885NOS1 1678/4885NOS2 1111/4885

“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.