SCHEMBL2607564

SCHEMBL2607564

CC(C)(C)c1cccc2occc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
FTO Q9C0B1 1/20 0.41
KCNA3 P22001 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.35
FADS1 O60427 1/20 0.34
EED O75530 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
NFKB1 P19838 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL29477140 0.84 MAOA (0.38) CA2MAOAMAOBFTOKCNA3
SCHEMBL22023990 0.82 KCNA3 (0.37) MAOAMAOBFTOKCNA3SLC6A2
SCHEMBL31698920 0.79 MAOA (0.41) MAOAMAOBFTOKCNA3SLC6A2
SCHEMBL826552 0.79 MAOA (0.41) MAOAMAOBFTOKCNA3SLC6A2
SCHEMBL15582378 0.78 MAOA (0.34) CA2MAOAMAOBFTOKCNA3
SCHEMBL26158968 0.78 PTPN1 (0.37) CA2MAOAGABRA1GABRB2KIF11
SCHEMBL6090241 0.76 MTNR1A (0.37) MAOAMAOBFTOKCNA3SLC6A2
SCHEMBL20748002 0.76 MAOB (0.40) CA2MAOAMAOBFTOKCNA3
SCHEMBL15590666 0.73 KDM4E (0.40) MAOAMAOBFTOKCNA3ALDH1A1
SCHEMBL10559466 0.72 ALOX5 (0.34) MAOAMAOBFTOEEDMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240072809-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-02-29 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2024-01-18 US disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20240018156-A1 SPIROCYCLIC COMPOUNDS C4 THERAPEUTICS, INC. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME TREVENA, INC. (US) 2012-09-27 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (11 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-20240018156-A1 SPIROCYCLIC COMPOUNDS CRBN, XIAP, RBX1 CA2 3062/4885MAOA 3959/4885MAOB 3607/4885
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CA2 1486/4885MAOA 1811/4885MAOB 1023/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CA2 1736/4885MAOA 174/4885MAOB 169/4885
US-20240018134-A1 6-Substituted Pyridazine Compounds as SMARCA2 and/or SMARCA4 Degraders SMARCC1, SMARCC2, SMARCA4 CA2 3413/4885MAOA 1247/4885MAOB 1968/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 CA2 1531/4885MAOA 548/4885MAOB 390/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CA2 1766/4885MAOA 1090/4885MAOB 871/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CA2 3359/4885MAOA 3934/4885MAOB 3653/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CA2 2381/4885MAOA 271/4885MAOB 283/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B CA2 1486/4885MAOA 1811/4885MAOB 1023/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 CA2 3907/4885MAOA 2524/4885MAOB 1512/4885
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME OPRL1, OPRK1, OPRM1 CA2 2952/4885MAOA 488/4885MAOB 535/4885

“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.