SCHEMBL3633807

SCHEMBL3633807

CC(C)(C)OC(=O)N1CCN(CC(F)(F)F)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.46
▸ NR1H2 P55055 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ SPR P35270 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ DTYMK P23919 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 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
SCHEMBL12125488 0.90 NR1H2 (0.43) NR1H2USP2SMN1; SMN2ESR2MAPT
SCHEMBL3635546 0.84 P2RX7 (0.45) P2RX7NR1H2USP2SMN1; SMN2ESR2
SCHEMBL1176507 0.83 NR1H2 (0.40) P2RX7NR1H2USP2SMN1; SMN2ESR2
SCHEMBL4005175 0.81 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2MAPT
SCHEMBL6873040 0.81 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2MAPT
SCHEMBL1583253 0.81 P2RX7 (0.46) P2RX7NR1H2USP2SMN1; SMN2ESR2
SCHEMBL21063418 0.81 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2MAPT
SCHEMBL18702191 0.81 P2RX7 (0.49) P2RX7SPRMEN1KMT2A
SCHEMBL18711637 0.80 P2RX7 (0.51) P2RX7SMN1; SMN2SPRMEN1KMT2A
SCHEMBL24744821 0.80 NR1H2 (0.40) P2RX7NR1H2USP2SMN1; SMN2ESR2

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
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 — — WO disclosed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 — — EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 — — 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 P2RX7 123/4885NR1H2 303/4885USP2 4818/4885

“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.

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