SCHEMBL3860137

SCHEMBL3860137

CC(C)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.62
CHRNG P07510 1/20 0.62
CHRNB1 P11230 1/20 0.62
CHRNB2 P17787 1/20 0.62
SLC6A2 P23975 1/20 0.62
CHRNB4 P30926 1/20 0.62
CHRNA3 P32297 1/20 0.62
CHRNA4 P43681 1/20 0.62
SLC6A3 Q01959 1/20 0.62
CHRND Q07001 1/20 0.62
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57
DBH P09172 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.42

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
SCHEMBL6955765 0.86 CES2 (0.62) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL9227046 0.84 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL12780290 0.84 GAA (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4609777 0.84 KDM4E (0.69) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16689552 0.84 HDAC1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL634189 0.84 CHRNA1 (0.58) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10762807 0.82 CHRNA1 (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL19769164 0.82 GAA (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7247767 0.82 GAA (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4309338 0.82 GAA (0.52) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
WO-2020023355-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 WO disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-9284283-B2 Macrocyclic compounds for modulating IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2016-03-15 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO 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 (9 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CHRNA1 4866/4885CHRNG 4762/4885CHRNB1 4836/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CHRNA1 3212/4885CHRNG 3513/4885CHRNB1 3266/4885
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 CHRNA1 3976/4885CHRNG 3945/4885CHRNB1 4360/4885
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C CHRNA1 3299/4885CHRNG 4419/4885CHRNB1 3016/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CHRNA1 2251/4885CHRNG 2740/4885CHRNB1 2916/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 CHRNA1 4784/4885CHRNG 4354/4885CHRNB1 4720/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CHRNA1 4866/4885CHRNG 4762/4885CHRNB1 4836/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CHRNA1 4756/4885CHRNG 4296/4885CHRNB1 4606/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 CHRNA1 3976/4885CHRNG 3945/4885CHRNB1 4360/4885

“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.