SCHEMBL18747366

SCHEMBL18747366

C=C(N1CC[C@@H](O)C1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.37
DPP7 Q9UHL4 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20034647 0.78 CYP2D6 (0.39)
SCHEMBL12975640 0.76
SCHEMBL12975785 0.76
SCHEMBL9976641 0.75 DPP4 (0.44) DPP4DPP7CA12CA1CA2
SCHEMBL18747356 0.75 DPP4 (0.37) DPP4DPP7CA12CA1CA2
SCHEMBL4311947 0.75 DPP4 (0.44) DPP4DPP7CA12CA1CA2
SCHEMBL4311944 0.75 DPP4 (0.44) DPP4DPP7CA12CA1CA2
SCHEMBL21523905 0.74 PHGDH (0.43) ALDH1A1GAA
SCHEMBL13259968 0.71
SCHEMBL21782877 0.68 DPP4 (0.41) DPP4DPP7CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 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-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 DPP4 2337/4885DPP7 2033/4885CA12 1922/4885

“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.