SCHEMBL7532232

SCHEMBL7532232

CCC1c2ncn(OC(=O)C(F)(F)F)c2CCN1C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
P2RX7 Q99572 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7528877 0.93 PDK1 (0.39) PDK1PDK2PDK3PDK4P2RX7
SCHEMBL7529918 0.86 PTGDR2 (0.41) PDK1PDK2PDK3PDK4PTGDR2
SCHEMBL11474322 0.86 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4TSHR
SCHEMBL7530149 0.85 P2RX7 (0.38) P2RX7
SCHEMBL7527042 0.83 KMT2A (0.39) P2RX7LMNANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL7529674 0.76 AOC3 (0.54) PDK1PDK2PDK3PDK4PTGDR2
SCHEMBL11477105 0.75 PTGDR2 (0.42) PTGDR2TSHRL3MBTL1KDM4ELMNA
SCHEMBL7528200 0.74 P2RX7 (0.34) P2RX7KDM4E
Trifluoroacetic Acid SCHEMBL7529678 0.73 RAD52 (0.48) P2RX7TSHR
SCHEMBL2390727 0.72 PSEN1 (0.51) L3MBTL1PSEN1PSEN2APH1BNCSTN

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 4 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 claimed
WO-2002038153-A1 NEW USE OF 4, 5, 6, 7-TETRAHYDROIMIDAZO-[4,5-C]PYRIDINE DERIVATIVES BIOVITRUM AB (SE) 2002-05-16 WO claimed
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 PDK1 2180/4885PDK2 1362/4885PDK3 1716/4885

“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.