SCHEMBL2335935

SCHEMBL2335935

CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@H](C=O)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.60
TACR1 P25103 3/20 0.49
GPR119 Q8TDV5 1/20 0.45
PDE4B Q07343 4/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.44
USP30 Q70CQ3 3/20 0.43

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
SCHEMBL2342856 1.00 RORC (0.60) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL26303125 1.00 RORC (0.60) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL23951720 0.88 RORC (0.59) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL31505569 0.87 RORC (0.46) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL31505546 0.86 KDM4E (0.50) RORCTACR1GPR119PDE4BKDM4E
SCHEMBL6103551 0.86 RORC (0.48) RORCTACR1GPR119PDE4BUSP30
SCHEMBL6103550 0.86 RORC (0.48) RORCTACR1GPR119PDE4BUSP30
SCHEMBL2935783 0.84 RORC (0.44) RORCTACR1GPR119PDE4BNAMPT
SCHEMBL2935781 0.84 RORC (0.44) RORCTACR1GPR119PDE4BNAMPT
SCHEMBL23951798 0.83 RORC (0.65) RORCTACR1GPR119PDE4BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076349-B2 Such as (3S,4S)-3-[3-(4-Methanesulfonylbenzyl)-bicyclo[3.2.1]-2,4-dioxo-1 alpha ,3,8-triaza-spiro[4.5]dodec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester; inflammation; HIV VIROCHEM PHARMA INC. (CA) 2011-12-13 US disclosed
US-8076349-B2 Such as (3S,4S)-3-[3-(4-Methanesulfonylbenzyl)-bicyclo[3.2.1]-2,4-dioxo-1 alpha ,3,8-triaza-spiro[4.5]dodec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester; inflammation; HIV VIROCHEM PHARMA INC. (CA) 2011-12-13 US disclosed
US-8076349-B2 Such as (3S,4S)-3-[3-(4-Methanesulfonylbenzyl)-bicyclo[3.2.1]-2,4-dioxo-1 alpha ,3,8-triaza-spiro[4.5]dodec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester; inflammation; HIV VIROCHEM PHARMA INC. (CA) 2011-12-13 US disclosed
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP disclosed
EP-1786815-B1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC (CA) 2011-08-24 EP disclosed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CHAN CHUN KONG LAVAL 2010-11-11 US disclosed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US disclosed
US-7709642-B2 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2010-05-04 US disclosed
US-20090047238-A1 Novel Spirotropane Compounds And Methods For The Modulation Of Chemokine Receptor Activity VIROCHEM PHARMA INC. (CA) 2009-02-19 US disclosed
US-20090047238-A1 Novel Spirotropane Compounds And Methods For The Modulation Of Chemokine Receptor Activity VIROCHEM PHARMA INC. (CA) 2009-02-19 US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed
EP-1824853-A1 NOVEL SPIROTROPANE COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-08-29 EP disclosed
WO-2006060918-A1 NOVEL SPIROTROPANE COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2006-06-15 WO disclosed
US-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2006-01-19 US disclosed
WO-2006000096-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2006-01-05 WO disclosed
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-03-31 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-20060014769-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR2, CXCR4 RORC 332/4885TACR1 44/4885GPR119 249/4885
US-20050070563-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CCR5, CXCR2 RORC 139/4885TACR1 29/4885GPR119 95/4885
US-20100286183-A1 SPIROHYDANTOIN COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CXCR2, CXCR4 RORC 332/4885TACR1 44/4885GPR119 249/4885
US-20090047238-A1 Novel Spirotropane Compounds And Methods For The Modulation Of Chemokine Receptor Activity AVPR2, CCR5, CXCR1 RORC 643/4885TACR1 16/4885GPR119 155/4885

“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.