SCHEMBL12425624

SCHEMBL12425624

CC(C)CNC(=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
EPHX1 P07099 1/20 0.48
PSMB5 P28074 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 3/20 0.47
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
EPHX2 P34913 1/20 0.46
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL19083853 0.92 POLB (0.46) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL16727369 0.92 POLB (0.46) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL15199103 0.92 POLB (0.46) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL1768109 0.91 EPHX1 (0.50) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL26763896 0.91 SMN1; SMN2 (0.55) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL24474359 0.90 ROCK2 (0.46) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL17787637 0.90 EPHX1 (0.42) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL10270129 0.90 ROCK2 (0.46) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL26716801 0.90 MMP8 (0.51) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1
SCHEMBL23729169 0.90 ALDH1A1 (0.45) CYP2D6CYP2C19EPHX1PSMB5ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-10-24 US disclosed
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-10-24 US disclosed
WO-2023066348-A1 DUAL ANTAGONIST AND USE THEREOF 年衍药业(上海)有限公司 2023-04-27 WO disclosed
WO-2023284881-A1 HETEROCYCLIC COMPOUNDS USEFUL AS KRAS G12D INHIBITORS SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-01-19 WO disclosed
WO-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 WO disclosed
US-20210284640-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. 2021-09-16 US disclosed
US-11046685-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-29 US disclosed
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 WO disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
WO-2011101402-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-08-25 WO disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 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 (10 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-11046685-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CYP2D6 1635/4885CYP2C19 4628/4885EPHX1 2488/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 CYP2D6 720/4885CYP2C19 1431/4885EPHX1 935/4885
US-20210284640-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV CYP2D6 1272/4885CYP2C19 4574/4885EPHX1 2131/4885
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 CYP2D6 85/4885CYP2C19 255/4885EPHX1 1522/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CYP2D6 862/4885CYP2C19 1844/4885EPHX1 1570/4885
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CYP2D6 1646/4885CYP2C19 4665/4885EPHX1 2496/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CYP2D6 862/4885CYP2C19 1844/4885EPHX1 1570/4885
US-20210179564-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CYP2D6 2841/4885CYP2C19 2129/4885EPHX1 1719/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 CYP2D6 4506/4885CYP2C19 4589/4885EPHX1 4613/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP2D6 2931/4885CYP2C19 2879/4885EPHX1 3507/4885

“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.