SCHEMBL5635952

SCHEMBL5635952

NCCCN1Cc2ccc(O)cc2N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2A P28223 2/20 0.31
ESR2 Q92731 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
PDK2 Q15119 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR1D P28221 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR7 P34969 1/20 0.31
HTR3A P46098 1/20 0.31
HTR6 P50406 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17602203 0.73 SIGMAR1 (0.41) DRD2DRD3ESR2DRD4
SCHEMBL23357194 0.59 ESR2 (0.45) DRD2DRD3HTR2AESR2DRD4
SCHEMBL30980858 0.59 ESR2 (0.45) DRD2DRD3HTR2AESR2DRD4
SCHEMBL23357190 0.59 ESR2 (0.45) DRD2DRD3HTR2AESR2DRD4
SCHEMBL4818995 0.56 ESR2 (0.45) DRD2DRD1DRD5DRD3ESR2
SCHEMBL8485819 0.56 DRD1 (0.57) DRD2DRD1DRD5DRD3ESR2
SCHEMBL10157726 0.56 PDK2 (0.47) DRD2DRD1DRD5DRD3ESR2
SCHEMBL14207342 0.55
SCHEMBL19088009 0.55 ESR2 (0.47) DRD2DRD3ESR2DRD4
SCHEMBL33917 0.54 DRD2 (0.70) DRD2DRD1DRD5DRD3ESR2

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
US-7268131-B2 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. (CH) 2007-09-11 US disclosed
US-6989445-B2 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-01-24 US disclosed
US-20050277636-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2005-12-15 US disclosed
WO-2005058911-A2 SUBSTITUTED [1,4]OXAZINO[2,3-G]INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-06-30 WO disclosed
US-20050130960-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. 2005-06-16 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 (2 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-20050277636-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma PTGIS, PTGS1, PTGIR DRD2 3172/4885DRD1 3412/4885DRD5 2588/4885
US-20050130960-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma PTGIS, PTGS1, PTGIR DRD2 3172/4885DRD1 3412/4885DRD5 2588/4885

“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.