SCHEMBL951059

SCHEMBL951059

CCc1cnc(C)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
PARP1 P09874 1/20 0.37
DHFR P00374 4/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL22961026 0.85 DHFR (0.37) NOS3NOS1NOS2PARP1DHFR
SCHEMBL22961170 0.85 NOS3 (0.37) NOS3NOS1NOS2DHFRNPC1
SCHEMBL17553802 0.85 KDM4E (0.40) NOS3NOS1NOS2DHFRKDM4E
SCHEMBL10175396 0.79 PARP1 (0.35) NOS3NOS1NOS2PARP1DHFR
SCHEMBL12240485 0.79 NOS3 (0.42) NOS3NOS1NOS2SMN1; SMN2KDM4E
SCHEMBL10310085 0.79 NOS3 (0.38) NOS3NOS1NOS2PARP1DHFR
SCHEMBL7115171 0.77 PARP1 (0.37) NOS3NOS1NOS2PARP1DHFR
SCHEMBL18546639 0.77 NOS3 (0.32) NOS3NOS1NOS2
Ammonia Solution, Strong SCHEMBL29819798 0.76 TP53 (0.31) PARP1
SCHEMBL16421188 0.76 PARP1 (0.33) NOS3NOS1NOS2PARP1SMN1; 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779557-B Corrosion inhibiting compositions for reducing corrosion in environments containing elemental sulfur and/or polysulfides 艺康美国股份有限公司 2020-12-25 CN claimed
US-10604710-B2 Corrosion inhibiting compositions to mitigate corrosion in environments containing elemental sulfur and/or polysulfides ECOLAB USA INC. (US) 2020-03-31 US claimed
EP-3420120-A1 CORROSION INHIBITING COMPOSITIONS TO MITIGATE CORROSION IN ENVIRONMENTS CONTAINING ELEMENTAL SULFUR AND/OR POLYSULFIDES Ecolab USA Inc. (US) 2019-01-02 EP claimed
US-20170247798-A1 CORROSION INHIBITING COMPOSITIONS TO MITIGATE CORROSION IN ENVIRONMENTS CONTAINING ELEMENTAL SULFUR AND/OR POLYSULFIDES APERGY BMCS ACQUISITION CORP 2017-08-31 US claimed
EP-4646465-A2 CALCIUM BASED NANOPARTICLE CORROSION INHIBITOR ADDITIVES ChampionX LLC (US) 2025-11-12 EP disclosed
WO-2025106251-A1 PARAFFIN BASED CORROSION INHIBITOR COMPOSITIONS AND USES THEREOF CHAMPIONX LLC (US) 2025-05-22 WO disclosed
US-20250154363-A1 PARAFFIN BASED CORROSION INHIBITOR COMPOSITIONS AND USES THEREOF CHAMPIONX LLC 2025-05-15 US disclosed
WO-2024226740-A2 CALCIUM BASED NANOPARTICLE CORROSION INHIBITOR ADDITIVES CHAMPIONX LLC (US) 2024-10-31 WO disclosed
US-20240360323-A1 CALCIUM BASED NANOPARTICLE CORROSION INHIBITOR ADDITIVES CHAMPIONX LLC 2024-10-31 US disclosed
US-20240044016-A1 COMPOSITIONS AND METHODS FOR METAL WEAR LOSS INHIBITION CHAMPIONX LLC 2024-02-08 US disclosed
WO-2024009232-A1 SUBSTITUTED N-(PYRIDIN-2-YL)ACETAMIDE DERIVATIVES AS CDK12/13 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-01-11 WO disclosed
US-20230182414-A1 Method for Preparing Fiber-Reinforced Parts Based on Cyanate Ester/Epoxy Blends ARXADA AG (CH) 2023-06-15 US disclosed
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF NAGATO SATOSHI 2009-11-05 US disclosed
US-7563811-B2 1,2-dihydropyridine compounds, manufacturing method thereof and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-21 US disclosed
WO-2008157234-A2 MONO AND BIS-ESTER DERIVATIVES OF PYRIDINIUM AND QUINOLINIUM COMPOUNDS AS ENVIRONMENTALLY FRIENDLY CORROSION INHIBITORS NALCO COMPANY (US) 2008-12-24 WO disclosed
US-20080308770-A1 MONO AND BIS-ESTER DERIVATIVES OF PYRIDINIUM AND QUINOLINIUM COMPOUNDS AS ENVIRONMENTALLY FRIENDLY CORROSION INHIBITORS ECOLAB USA INC. 2008-12-18 US disclosed
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-04-03 US disclosed
US-5223160-A Mixture of ether alcohol and amine compound NALCO CHEMICAL COMPANY 1993-06-29 US disclosed
US-5009799-A Ethoxylated fatty amine and betaine inner salts, alkyne radical contining alcohol, pyridine quaternary ammonium salt NALCO CHEMICAL COMPANY (US) 1991-04-23 US disclosed
US-4554090-A REACXTION PRODUCT OF N-HETEROCYCLE, ALDEHYDE, PHOSPHORUS COMPOUND JONES L W 1985-11-19 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 (4 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-10604710-B2 Corrosion inhibiting compositions to mitigate corrosion in environments containing elemental sulfur and/or polysulfides SLC7A11, TST, FECH NOS3 662/4885NOS1 535/4885NOS2 465/4885
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction MYH10, MYLK, MKI67 NOS3 416/4885NOS1 1076/4885NOS2 1820/4885
US-20080308770-A1 MONO AND BIS-ESTER DERIVATIVES OF PYRIDINIUM AND QUINOLINIUM COMPOUNDS AS ENVIRONMENTALLY FRIENDLY CORROSION INHIBITORS AOC2, AOC3, CBR3 NOS3 70/4885NOS1 78/4885NOS2 48/4885
US-20090275751-A1 1,2-DIHYDROPYRIDINE COMPOUNDS, MANUFACTURING METHOD THEREOF AND USE THEREOF GRIK1, GRIK2, GRIK5 NOS3 1717/4885NOS1 1370/4885NOS2 1789/4885

“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.