SCHEMBL179525

SCHEMBL179525

CNC(=O)/C=C/C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
PARP1 P09874 2/20 0.30
PARP10 Q53GL7 2/20 0.30
PARP14 Q460N5 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
SCHEMBL12463129 1.00 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4PARP1
SCHEMBL18042843 0.80 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18042846 0.80 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5574863 0.79 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4PARP1
SCHEMBL18594506 0.79 HDAC1 (0.37)
SCHEMBL15711294 0.79 HDAC1 (0.37)
SCHEMBL17120406 0.77 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13108774 0.77 EGFR (0.47)
SCHEMBL13108772 0.77 EGFR (0.47)
SCHEMBL23620515 0.77 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors SEAGEN INC. (US) 2023-05-02 US disclosed
US-20230041385-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2023-02-09 US disclosed
US-10988501-B2 Reversibly blocked nucleoside analogues and their use MGI TECH CO., LTD. 2021-04-27 US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-7671085-B2 Non-steroidal farnesoid X receptor modulators and methods for the use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-03-02 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-7381825-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-06-03 US disclosed
US-7375228-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-05-20 US disclosed
US-20080063628-A1 METHODS TO PROMOTE CELL DIFFERENTIATION LIFESCAN, INC. 2008-03-13 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 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 (13 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-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS NAMPT, NAPRT, NNMT CHRNB2 1682/4885CHRNB4 2143/4885CHRNA3 2345/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB CHRNB2 4052/4885CHRNB4 4502/4885CHRNA3 4195/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA CHRNB2 3293/4885CHRNB4 2761/4885CHRNA3 1700/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD CHRNB2 3937/4885CHRNB4 4363/4885CHRNA3 3822/4885
US-20230041385-A1 HER2 MUTATION INHIBITORS ERBB2, EGFR, ERBB3 CHRNB2 3862/4885CHRNB4 4246/4885CHRNA3 4260/4885
US-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 CHRNB2 3871/4885CHRNB4 4052/4885CHRNA3 3481/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 CHRNB2 168/4885CHRNB4 95/4885CHRNA3 70/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A CHRNB2 3850/4885CHRNB4 3748/4885CHRNA3 1968/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CHRNB2 4548/4885CHRNB4 4312/4885CHRNA3 3679/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB CHRNB2 4658/4885CHRNB4 4654/4885CHRNA3 4623/4885
US-10988501-B2 Reversibly blocked nucleoside analogues and their use NSUN2, NME2, ADAR CHRNB2 1950/4885CHRNB4 1588/4885CHRNA3 2090/4885
US-20080063628-A1 METHODS TO PROMOTE CELL DIFFERENTIATION CTCF, CBX2, ZMYND8 CHRNB2 1287/4885CHRNB4 1579/4885CHRNA3 2085/4885
US-11638762-B2 Targeted delivery of nicotinamide adenine dinucleotide salvage pathway inhibitors NAMPT, NME4, NNMT CHRNB2 2125/4885CHRNB4 2644/4885CHRNA3 2962/4885

“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.