SCHEMBL17889274

SCHEMBL17889274

CC(C)(C)OC(=O)Cn1ccnc1C=CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.35
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ TBXAS1 P24557 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ F2 P00734 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
SCHEMBL17889273 1.00 FPR2 (0.41) FPR2KDM4EALDH1A1HDAC6OPRD1
SCHEMBL2498914 0.83 FPR2 (0.44) FPR2KDM4EALDH1A1HDAC6OPRD1
SCHEMBL16607361 0.83 LMNA (0.47) FPR2KDM4EALDH1A1OPRD1OPRK1
SCHEMBL17889259 0.83 FPR2 (0.42) FPR2KDM4EALDH1A1OPRD1SMN1; SMN2
SCHEMBL17889258 0.83 FPR2 (0.42) FPR2KDM4EALDH1A1OPRD1SMN1; SMN2
SCHEMBL15758840 0.77 SMN1; SMN2 (0.39) KDM4EALDH1A1TBXAS1SMN1; SMN2KMT2A
SCHEMBL15758042 0.77 SMN1; SMN2 (0.39) KDM4EALDH1A1TBXAS1SMN1; SMN2KMT2A
SCHEMBL15335292 0.76 ALPL (0.47) FPR2KDM4EALDH1A1HDAC6SMN1; SMN2
SCHEMBL10916148 0.75 FPR2 (0.46) FPR2KDM4EALDH1A1HDAC6OPRD1
SCHEMBL10553435 0.75 FPR2 (0.51) FPR2KDM4EALDH1A1HDAC6OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511003-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2021-03-03 — — EP disclosed
EP-3511002-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-08-19 — — EP disclosed
EP-3050877-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
EP-3511002-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 — — EP disclosed
EP-3511003-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 — — EP disclosed
US-9505740-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. 2016-11-29 — — US disclosed
EP-3050877-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2016-08-03 — — EP disclosed
US-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2016-07-07 — — 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-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, OPRL1, CNR1 FPR2 149/4885KDM4E 1224/4885ALDH1A1 1098/4885

“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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