SCHEMBL2525936

SCHEMBL2525936

CN(C)C(=O)Oc1cc(F)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NCEH1 Q6PIU2 4/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RAB9A P51151 1/20 0.41
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.38
FABP7 O15540 1/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL28246635 0.80 FFAR1 (0.49) FFAR1FFAR4ALDH1A1FABP7FABP3
SCHEMBL14587026 0.78 ALDH1A1 (0.40) NCEH1MAOAMAOBRAB9AKCNH2
SCHEMBL24018751 0.75 HTR2A (0.49) MAOAMAOBRAB9AKCNH2ALDH1A1
SCHEMBL26508862 0.74 RAB9A (0.46) NCEH1MAOAMAOBRAB9AHTT
SCHEMBL24499264 0.74 NCEH1 (0.43) NCEH1MAOAMAOBRAB9AKCNH2
SCHEMBL551293 0.73 AR (0.53) ALDH1A1
SCHEMBL2525745 0.73 ALDH1A1 (0.43) NCEH1MAOAMAOBRAB9AKCNH2
Hydrochloric Acid SCHEMBL2525743 0.72 ALDH1A1 (0.45) NCEH1MAOAMAOBRAB9AKCNH2
SCHEMBL7342249 0.71 ADRB1 (0.47) FFAR1FFAR4RAB9AHTTALDH1A1
SCHEMBL25235502 0.71 FFAR1 (0.64) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039458-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
EP-1948666-B1 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-03-17 EP disclosed
US-7511037-B2 N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-31 US disclosed
US-7511037-B2 N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-31 US disclosed
US-7511037-B2 N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-31 US disclosed
US-7491819-B1 N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 US disclosed
US-7491819-B1 N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-17 US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
US-7176196-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-13 US disclosed
EP-1749011-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157447-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors NAIDU B N 2006-12-07 US disclosed
US-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-07 US disclosed
WO-2005118593-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (3 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-20060199956-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 FFAR1 4457/4885FFAR4 4784/4885NCEH1 2050/4885
US-20060276466-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 FFAR1 4457/4885FFAR4 4784/4885NCEH1 2050/4885
US-20050267105-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TYMP, IMPDH1 FFAR1 4457/4885FFAR4 4784/4885NCEH1 2050/4885

“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.