SCHEMBL7530149

SCHEMBL7530149

CCC1c2ncn(OC(=O)C(F)(F)F)c2CCN1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.38
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP9 Q86TI2 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL7525403 0.92 P2RX7 (0.32) P2RX7DPP4DPP8DPP7CYP3A4
SCHEMBL7525111 0.85 P2RX7 (0.36) P2RX7DPP4DPP8DPP7DPP9
SCHEMBL7532232 0.85 PDK1 (0.40) P2RX7
SCHEMBL7527042 0.81 KMT2A (0.39) P2RX7
SCHEMBL7525099 0.81 ESR1 (0.36) P2RX7
SCHEMBL7528200 0.78 P2RX7 (0.34) P2RX7
SCHEMBL7528877 0.77 PDK1 (0.39) P2RX7
SCHEMBL7532744 0.74 LMNA (0.37) P2RX7
Trifluoroacetic Acid SCHEMBL7530146 0.71 AOC3 (0.45) P2RX7DPP4DPP8DPP7DPP9
SCHEMBL7529918 0.69 PTGDR2 (0.41)

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-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans BIOVITRUM AB (SE) 2002-12-26 US disclosed
WO-2002038153-A1 NEW USE OF 4, 5, 6, 7-TETRAHYDROIMIDAZO-[4,5-C]PYRIDINE DERIVATIVES BIOVITRUM AB (SE) 2002-05-16 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-20020198189-A1 Treatment or prophylaxis of Semicarbazide-sensitive amine oxidase (SSAO) mediated complications in mammals including humans AOC3, AOC2, AOC1 P2RX7 2655/4885DPP4 2098/4885DPP8 3502/4885

“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.