SCHEMBL14670927

SCHEMBL14670927

CCCCOC1CCC(C#N)(C(=O)OCC)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
DPP4 P27487 1/20 0.36
AKT1 P31749 10/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17682125 0.86 EPHX2 (0.36) EPHX2DPP4ALDH1A1SMN1; SMN2
SCHEMBL102472 0.77 POLB (0.41) ALDH1A1SMN1; SMN2
SCHEMBL14661822 0.76 OPRM1 (0.47) EPHX2DPP4SMN1; SMN2
SCHEMBL2879833 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL3523 0.74 SMN1; SMN2 (0.37) DPP4ALDH1A1SMN1; SMN2
SCHEMBL23219992 0.73 ALDH1A1 (0.33) ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL21607430 0.73 ALDH1A1 (0.33) ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL23220056 0.73 ALDH1A1 (0.33) ESR1ESR2ALDH1A1SMN1; SMN2
SCHEMBL2505 0.73 SMN1; SMN2 (0.36) DPP4ALDH1A1SMN1; SMN2
SCHEMBL14671094 0.73 DPP4 (0.34) EPHX2DPP4

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
US-9226923-B2 Spirocyclic molecules as protein kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-01-05 US disclosed
US-20140243303-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS BETA PHARMA CANADA INC. (CA) 2014-08-28 US disclosed
WO-2013013308-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS BETA PHARMA CANADA INC. (CA) 2013-01-31 WO 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-20140243303-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS MET, RET, ALK EPHX2 2203/4885DPP4 2832/4885AKT1 14/4885

“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.