SCHEMBL278256

SCHEMBL278256

CC(C)(C)N1CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.42
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
OPRM1 P35372 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MGLL Q99685 1/20 0.30

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
SCHEMBL24928097 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL627257 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL1106426 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL23988087 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24928198 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24928774 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24927970 1.00 CYP2B6 (0.42) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
Hydrochloric Acid SCHEMBL16197804 0.97 CYP2B6 (0.41) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL23251488 0.97 CYP2B6 (0.41) CYP2B6GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL179261 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-12-14 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
WO-2023081486-A1 TOLL-LIKE RECEPTOR THERAPY COMBINATIONS WITH CBL-B INHIBITOR COMPOUNDS NURIX THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed
US-20230053437-A1 LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS Suzhou Abogen Biosciences Co., Ltd. (CN) 2023-02-23 US disclosed
WO-2023018636-A1 COMPOUNDS THAT INHIBIT PI3K ISOFORM ALPHA AND METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2023-02-16 WO disclosed
US-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2023-01-26 US disclosed
US-20230026056-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF Lakewood Amedex, Inc. 2023-01-26 US disclosed
US-20100093716-A1 THERAPEUTIC METHODS USING WRN BINDING MOLECULES TRUSTEES OF BOSTON UNIVERSITY AND PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-04-15 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions ARBOR VITA CORPORATION (US) 2009-03-05 US disclosed
US-20090036376-A1 Treatment for Anxiety NONO INC. (CA) 2009-02-05 US disclosed
US-20090036376-A1 Treatment for Anxiety NONO INC. (CA) 2009-02-05 US disclosed
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions NONO INC. (CA) 2008-09-18 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2007-11-22 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 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 (14 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-20230028747-A1 Carboxylic Acid Containing Azetidinyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, LPAR5, S1PR2 CYP2B6 4145/4885GRIN2D 1078/4885GRIN3B 392/4885
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD CYP2B6 4866/4885GRIN2D 2526/4885GRIN3B 967/4885
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, CYP51A1, CD4 CYP2B6 12/4885GRIN2D 2745/4885GRIN3B 1939/4885
US-20230053437-A1 LIPID COMPOUNDS AND LIPID NANOPARTICLE COMPOSITIONS CETP, NPC1, LCAT CYP2B6 2785/4885GRIN2D 4735/4885GRIN3B 3542/4885
US-20070270407-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, IFNG, CD4 CYP2B6 11/4885GRIN2D 2246/4885GRIN3B 1522/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 CYP2B6 3541/4885GRIN2D 4092/4885GRIN3B 3744/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 CYP2B6 338/4885GRIN2D 4268/4885GRIN3B 3611/4885
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD CYP2B6 4866/4885GRIN2D 2526/4885GRIN3B 967/4885
US-20230026056-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH CYP2B6 269/4885GRIN2D 4281/4885GRIN3B 3728/4885
US-20100093716-A1 THERAPEUTIC METHODS USING WRN BINDING MOLECULES WRN, BLM, RECQL CYP2B6 4748/4885GRIN2D 4856/4885GRIN3B 4147/4885
US-20090036376-A1 Treatment for Anxiety GRIN2A, GRIN3A, GRIN1 CYP2B6 4129/4885GRIN2D 35/4885GRIN3B 6/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 CYP2B6 4702/4885GRIN2D 3794/4885GRIN3B 2786/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH CYP2B6 269/4885GRIN2D 4281/4885GRIN3B 3728/4885
US-20230399355-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF CAT, MPO, NISCH CYP2B6 269/4885GRIN2D 4281/4885GRIN3B 3728/4885

“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.