SCHEMBL354730

SCHEMBL354730

CNC(=O)C1COC(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.35
HCRTR2 O43614 7/20 0.33
HCRTR1 O43613 6/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30
BUB1 O43683 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
SCHEMBL19080548 1.00 CA2 (0.35) CA2HCRTR2HCRTR1MAPK1NPSR1
SCHEMBL17225276 0.82 CA2 (0.38) CA2HCRTR2HCRTR1MAPK1NPSR1
SCHEMBL16387378 0.79 ALDH1A1 (0.38) CA2HCRTR2HCRTR1MAPK1NPSR1
SCHEMBL1826271 0.79 CA2 (0.35) CA2HCRTR2HCRTR1CA1L3MBTL1
SCHEMBL883211 0.79 CA2 (0.35) CA2HCRTR2HCRTR1CA1L3MBTL1
SCHEMBL3020689 0.79 CA2 (0.35) CA2HCRTR2HCRTR1CA1L3MBTL1
SCHEMBL1030223 0.77 HCRTR2 (0.39) CA2HCRTR2HCRTR1L3MBTL1
SCHEMBL1030224 0.77 HCRTR2 (0.39) CA2HCRTR2HCRTR1L3MBTL1
SCHEMBL8875465 0.77 CA2 (0.34) CA2HCRTR2HCRTR1MAPK1NPSR1
SCHEMBL2038232 0.77 HCRTR2 (0.39) CA2HCRTR2HCRTR1L3MBTL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271354-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Pfizer Inc (US) 2018-01-24 EP disclosed
US-9873690-B2 3-indol substituted derivatives, pharmaceutical compositions and methods for use PFIZER INC (US) 2018-01-23 US disclosed
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 EP disclosed
US-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. 2016-09-22 US disclosed
WO-2016147144-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE PFIZER INC. (US) 2016-09-22 WO disclosed
US-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2016-09-15 US disclosed
US-9408919-B2 Biodegradable polymer—bioactive moiety conjugates POLYACTIVA PTY LTD. (AU) 2016-08-09 US disclosed
US-9382254-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2016-07-05 US disclosed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 US disclosed
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. GALAPAGOS NV (BE) 2015-01-01 US disclosed
US-20140046018-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES POLYACTIVA PTY LTD. (AU) 2014-02-13 US disclosed
US-8535655-B2 Biodegradable polymer—bioactive moiety conjugates POLYACTIVA PTY LTD. (AU) 2013-09-17 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20110243884-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES THE BIONICS INSTITUTE OF AUSTRALIA (AU) 2011-10-06 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 (7 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-20160263084-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC3, ABCC5 CA2 3220/4885HCRTR2 2621/4885HCRTR1 1155/4885
US-20140046018-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES BMP2, MKI67, FGF2 CA2 3442/4885HCRTR2 3966/4885HCRTR1 3001/4885
US-20110243884-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES BMP2, MKI67, FGF2 CA2 3442/4885HCRTR2 3966/4885HCRTR1 3001/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA CA2 2838/4885HCRTR2 4209/4885HCRTR1 4112/4885
US-20150005275-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS. CFTR, ABCC3, ABCC5 CA2 3306/4885HCRTR2 2508/4885HCRTR1 1084/4885
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV CCR5, CD4, HAVCR2 CA2 4691/4885HCRTR2 4480/4885HCRTR1 3870/4885
US-20160272628-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 CA2 3049/4885HCRTR2 438/4885HCRTR1 624/4885

“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.