SCHEMBL659637

SCHEMBL659637

CC(C)(C)OC(=O)N1CCN(Cc2cccc3[nH]nnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KDM1A O60341 5/20 0.43
KDM1B Q8NB78 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CXCR2 P25025 1/20 0.41
TERT O14746 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 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
SCHEMBL30616691 0.79 MAPK14 (0.49) PARP1VEGFAEGLN1CHRM2CHRM4
SCHEMBL23293566 0.79 MAPK14 (0.49) PARP1VEGFAEGLN1CHRM2CHRM4
SCHEMBL24695123 0.78 ALDH1A1 (0.45) PARP1VEGFAEGLN1CHRM2CHRM4
SCHEMBL2494212 0.76 CYP2D6 (0.52) ALDH1A1POLBKDM4EHTT
SCHEMBL11900867 0.76 MPO (0.59) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL18803144 0.75 BCHE (0.45) PARP1POLBKDM4EATM
SCHEMBL30422174 0.75 ACHE (0.60) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL23293544 0.75 ACHE (0.60) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL16830462 0.75 ACHE (0.60) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL30589581 0.75 BCHE (0.45) PARP1POLBKDM4EATM

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 PARP1 1825/4885VEGFA 455/4885EGLN1 906/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PARP1 1825/4885VEGFA 455/4885EGLN1 906/4885

“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.