SCHEMBL16607361

SCHEMBL16607361

CC(C)(C)OC(=O)Cn1ccnc1/C=C/C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ AKR1B10 O60218 2/20 0.44
▸ AKR1B1 P15121 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA4 P22748 2/20 0.44
▸ CA6 P23280 2/20 0.44
▸ CA5A P35218 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA5B Q9Y2D0 2/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ TTR P02766 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL16607262 0.87 LMNA (0.52) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL17889274 0.83 FPR2 (0.41) ALDH1A1OPRD1OPRK1FPR2KMT2A
SCHEMBL17889273 0.83 FPR2 (0.41) ALDH1A1OPRD1OPRK1FPR2KMT2A
SCHEMBL16607299 0.80 LMNA (0.49) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL20558910 0.75 OPRD1 (0.48) LMNACA12CA7CA9CA14
SCHEMBL2498914 0.75 FPR2 (0.44) ALDH1A1OPRD1OPRK1FPR2KMT2A
SCHEMBL6961493 0.73 HCAR2 (0.68) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6961501 0.73 HCAR2 (0.68) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL7641512 0.71 MAPK14 (0.62) —
SCHEMBL23397121 0.70 KMT2A (0.46) LMNAALDH1A1NPC1TP53RAB9A

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 10 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-3511003-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 — — EP disclosed
EP-3511002-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
US-9505740-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. 2016-11-29 — — US disclosed
US-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2016-07-07 — — US disclosed
US-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2016-07-07 — — US disclosed
WO-2015046403-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 東レ株式会社 2015-04-02 — — 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-20160194302-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF CNR2, OPRL1, CNR1 LMNA 2892/4885AKR1B10 907/4885AKR1B1 988/4885

“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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