SCHEMBL16607262

SCHEMBL16607262

CCOC(=O)Cn1ccnc1/C=C/C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.52
▸ CA12 O43570 3/20 0.49
▸ CA7 P43166 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA14 Q9ULX7 3/20 0.49
▸ AKR1B10 O60218 2/20 0.49
▸ AKR1B1 P15121 2/20 0.49
▸ CA4 P22748 2/20 0.49
▸ CA6 P23280 2/20 0.49
▸ CA5A P35218 2/20 0.49
▸ CA5B Q9Y2D0 2/20 0.49
▸ TTR P02766 1/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA1 P00915 1/20 0.40

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
SCHEMBL16607299 0.90 LMNA (0.49) LMNACA12CA7CA9CA14
SCHEMBL16607361 0.87 LMNA (0.47) LMNACA12CA7CA9CA14
SCHEMBL20558910 0.84 OPRD1 (0.48) LMNACA12CA7CA9CA14
SCHEMBL17889258 0.83 FPR2 (0.42) HCAR2RAB9ANPC1ALDH1A1POLB
SCHEMBL17889259 0.83 FPR2 (0.42) HCAR2RAB9ANPC1ALDH1A1POLB
SCHEMBL23047608 0.78 FPR2 (0.44) LMNAALDH1A1POLBKMT2AKDM4E
SCHEMBL18839661 0.77 L3MBTL1 (0.45) LMNARAB9ANPC1ALDH1A1MEN1
SCHEMBL15765005 0.77 CA12 (0.44) LMNACA12CA7CA9CA14
SCHEMBL20068591 0.76 FPR2 (0.47) RAB9ANPC1ALDH1A1POLBMEN1
SCHEMBL16607297 0.75 ALDH1A1 (0.46) LMNAALDH1A1POLBKMT2AKDM4E

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 13 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-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-04-19 — — US disclosed
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-04-19 — — US 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
WO-2016152955-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2016-09-29 — — WO 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 (2 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 2892/4885CA12 1348/4885CA7 753/4885
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF OPRL1, CNP, AANAT LMNA 2593/4885CA12 3529/4885CA7 2670/4885

“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.

Send feedback