SCHEMBL18159975

SCHEMBL18159975

CCc1nn(C2CCCC2)c(C(C)C)c1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.40
PDE4B Q07343 15/20 0.40
PDE4D Q08499 15/20 0.40
PDE4C Q08493 14/20 0.40
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GAA P10253 1/20 0.32
CTSK P43235 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL19592122 0.82 PDE4A (0.32) PDE4APDE4BPDE4DPDE4C
SCHEMBL18159968 0.80 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10
SCHEMBL25748391 0.78 PDE4A (0.42) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL18159969 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10
SCHEMBL18159971 0.77 KDM4E (0.36) PDE4APDE4BPDE4DPDE4CCTSK
SCHEMBL18159967 0.76 ALDH1A1 (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL19592157 0.74 MEN1 (0.31) KDM4EALDH1A1HSD17B10
SCHEMBL19592059 0.73 MEN1 (0.31) KDM4EALDH1A1HSD17B10
SCHEMBL19592119 0.72 MEN1 (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL15071353 0.72 GAA (0.37) PDE4APDE4BPDE4DPDE4CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815791-B2 Alkylpyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-11-14 US disclosed
US-20160304465-A1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-20 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-20160304465-A1 ALKYLPYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME PDE4A 184/4885PDE4B 291/4885PDE4D 306/4885

“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.