SCHEMBL659239

SCHEMBL659239

CC(=O)N1CCN(CCC(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
GLA P06280 1/20 0.52
PIK3CD O00329 1/20 0.52
SIGMAR1 Q99720 1/20 0.49
DRD3 P35462 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR7 P34969 5/20 0.43
KDM1A O60341 2/20 0.43
HTR1A P08908 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
PAOX Q6QHF9 1/20 0.40

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
SCHEMBL4912945 0.86 HTR7 (0.54) CYP1A2TDP1PIK3CDSIGMAR1DRD3
SCHEMBL13589531 0.85 CYP1A2 (0.54) CYP1A2TDP1PIK3CDSIGMAR1DRD3
SCHEMBL23823660 0.84 CYP1A2 (0.64) CYP1A2TDP1PIK3CDSIGMAR1DRD3
SCHEMBL7027263 0.84 GLA (0.67) CYP1A2GLAMAPK1SMN1; SMN2HTR7
SCHEMBL3973280 0.84 GLA (0.67) CYP1A2GLAMAPK1SMN1; SMN2HTR7
SCHEMBL6536452 0.84 GLA (0.67) CYP1A2GLAMAPK1SMN1; SMN2HTR7
SCHEMBL1069692 0.84
SCHEMBL22821442 0.83 GLA (0.55) CYP1A2GLAMAPK1SMN1; SMN2HTR7
Propane SCHEMBL1995071 0.82 GLA (0.59) CYP1A2GLAMAPK1SMN1; SMN2HTR7
Ammonia Solution, Strong SCHEMBL9352555 0.82

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
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR CYP1A2 2552/4885TDP1 3522/4885GLA 1293/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR CYP1A2 2552/4885TDP1 3522/4885GLA 1293/4885

“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.