SCHEMBL13548827

SCHEMBL13548827

COC(=O)c1ccc2c(c1)CCc1cc(C(=O)OC)ccc1C2C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
SRD5A1 P18405 3/20 0.44
SRD5A2 P31213 3/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL13550862 0.91 CHRNB2 (0.46) CHRNB2CHRNA4SRD5A1SRD5A2CA12
SCHEMBL13548844 0.89 SRD5A1 (0.41) CHRNB2CHRNA4SRD5A1SRD5A2CA2
SCHEMBL12050807 0.89 KDM4E (0.42) CHRNB2CHRNA4SRD5A1SRD5A2MEN1
SCHEMBL12050835 0.85 LOXL2 (0.36) CHRNB2CHRNA4SRD5A1SRD5A2MEN1
SCHEMBL13550875 0.83 CA1 (0.46) CA12CA1CA2CA7XDH
SCHEMBL13548830 0.81 CHRNB2 (0.50) CHRNB2CHRNA4SRD5A1SRD5A2CA12
SCHEMBL12050822 0.81 KDM4E (0.45) SRD5A1SRD5A2CA12CA1CA2
SCHEMBL13548841 0.80 CHRNB2 (0.49) CHRNB2CHRNA4SRD5A1SRD5A2CA12
SCHEMBL12052803 0.78 LOXL2 (0.36) CHRNB2CHRNA4MEN1KMT2ARAB9A
SCHEMBL13092126 0.77 CHRNB2 (0.42) CHRNB2CHRNA4SRD5A1SRD5A2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888562-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARM HOLDING (US) 2014-06-18 EP disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 CHRNB2 4687/4885CHRNA4 3702/4885SRD5A1 2084/4885

“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.