SCHEMBL13301966

SCHEMBL13301966

CC(C)(C)C(=O)C(N)CCCCN

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.57
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
DPP7 Q9UHL4 9/20 0.41
DPP8 Q6V1X1 5/20 0.41
DPP9 Q86TI2 5/20 0.41
CPB2 Q96IY4 5/20 0.41
RNPEP Q9H4A4 1/20 0.41
DPP4 P27487 3/20 0.40
FAP Q12884 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
SCHEMBL12825493 1.00 GSR (0.57) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL12420397 1.00 GSR (0.57) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL10533308 0.98 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL12680192 0.94 GSR (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL10532179 0.94 GSR (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL18159727 0.94 GSR (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL28257116 0.86 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL28257117 0.86 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL18159724 0.85 DPP7 (0.40) GSRDPP7DPP8DPP9DPP4
SCHEMBL10110827 0.85 DPP7 (0.40) GSRDPP7DPP8DPP9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-11541049-B2 Tetrahydroisoquinoline derivatives, preparation process and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-01-03 US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-11130749-B2 2021-09-28 US disclosed
US-20210292929-A1 METHODS AND SYSTEMS FOR REDOX-TRIGGERED SURFACE IMMOBILIZATION OF POLYIONIC SPECIES ON A SUBSTRATE NATIONAL SCIENCE FOUNDATION 2021-09-23 US disclosed
US-20210052576-A1 TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
US-10450423-B2 Disintegratable porous organometaloxyde material UNIVERSITE DE STRASBOURG (FR) 2019-10-22 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-9790417-B1 High-density water-based drilling fluid suitable for horizontal shale gas wells CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) 2017-10-17 US disclosed
US-9783725-B1 Drilling fluid additive composition and water-based drilling fluid suitable for horizontal shale gas wells CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) 2017-10-10 US disclosed
US-20100144655-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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 (8 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-10450423-B2 Disintegratable porous organometaloxyde material MCM4, SI, ESD GSR 1345/4885GNAI3 4254/4885GNAO1 4345/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA GSR 3801/4885GNAI3 173/4885GNAO1 506/4885
US-11130749-B2 ROCK1, RHOA, ROCK2 GSR 2550/4885GNAI3 108/4885GNAO1 743/4885
US-11541049-B2 Tetrahydroisoquinoline derivatives, preparation process and use thereof CYP3A4, CYP3A43, CYP11B2 GSR 3091/4885GNAI3 1425/4885GNAO1 875/4885
US-20100144655-A1 ORGANIC COMPOUNDS OAT, MAVS, HAVCR2 GSR 439/4885GNAI3 3556/4885GNAO1 3280/4885
US-20210052576-A1 TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF CYP3A4, CYP3A43, CYP11B2 GSR 3091/4885GNAI3 1425/4885GNAO1 875/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA GSR 3801/4885GNAI3 173/4885GNAO1 506/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 GSR 1010/4885GNAI3 2087/4885GNAO1 931/4885

“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.