SCHEMBL17889258

SCHEMBL17889258

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.42
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MITF O75030 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ OPRD1 P41143 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 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
SCHEMBL17889259 1.00 FPR2 (0.42) FPR2GSK3AGSK3BMITFALDH1A1
SCHEMBL17889247 0.87 FPR2 (0.43) FPR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17889248 0.87 FPR2 (0.43) FPR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23047608 0.86 FPR2 (0.44) FPR2GSK3AGSK3BMITFALDH1A1
SCHEMBL16607262 0.83 LMNA (0.52) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL16607297 0.83 ALDH1A1 (0.46) FPR2GSK3AGSK3BMITFALDH1A1
SCHEMBL17889274 0.83 FPR2 (0.41) FPR2ALDH1A1KDM4ESMN1; SMN2OPRD1
SCHEMBL17889273 0.83 FPR2 (0.41) FPR2ALDH1A1KDM4ESMN1; SMN2OPRD1
SCHEMBL15758840 0.81 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15758042 0.81 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2

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 11 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-10117853-B2 Cyclic amine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2018-11-06 — — US disclosed
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2018-04-19 — — US disclosed
EP-3275879-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Toray Industries, Inc. (JP) 2018-01-31 — — 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 (3 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 149/4885GSK3A 1438/4885GSK3B 1330/4885
US-10117853-B2 Cyclic amine derivative and pharmaceutical use thereof OPRL1, CNP, PDE7A FPR2 87/4885GSK3A 2282/4885GSK3B 2707/4885
US-20180104221-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF OPRL1, CNP, AANAT FPR2 71/4885GSK3A 2360/4885GSK3B 2795/4885

“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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