SCHEMBL1104672

SCHEMBL1104672

CC(C)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 3/20 0.51
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
PDE3B Q13370 4/20 0.45
PDE3A Q14432 4/20 0.45
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL18509218 0.89 HPGD (0.49) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL14614571 0.89 CYP3A4 (0.53) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL14614695 0.86 NPC1 (0.52) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL14924073 0.86 KDM2B (0.48) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL12160700 0.84 ALDH1A1 (0.53) SMN1; SMN2HPGDALDH1A1NPC1TSHR
SCHEMBL23279482 0.84 NPC1 (0.56) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL22296418 0.83 MAPT (0.58) SMN1; SMN2ALDH1A1LMNANPC1ALOX15
SCHEMBL14200387 0.83 NPC1 (0.44) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL13450397 0.83 ALDH1A1 (0.48) SMN1; SMN2HPGDALDH1A1LMNANPC1
SCHEMBL20457963 0.83 HPGD (0.39) SMN1; SMN2HPGDALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 US disclosed
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 US disclosed
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-07-29 US disclosed
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-7718683-B2 Triazolyl phenyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-05-18 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 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 (13 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-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 SMN1; SMN2 4113/4885HPGD 2329/4885ALDH1A1 2924/4885
US-20100190762-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SMN1; SMN2 2420/4885HPGD 2868/4885ALDH1A1 2935/4885
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SMN1; SMN2 2093/4885HPGD 2056/4885ALDH1A1 2696/4885
US-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 SMN1; SMN2 4183/4885HPGD 3124/4885ALDH1A1 3183/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 SMN1; SMN2 2917/4885HPGD 556/4885ALDH1A1 2992/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK SMN1; SMN2 3671/4885HPGD 1412/4885ALDH1A1 4227/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 SMN1; SMN2 3707/4885HPGD 1845/4885ALDH1A1 2446/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK SMN1; SMN2 3671/4885HPGD 1412/4885ALDH1A1 4227/4885
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SMN1; SMN2 2093/4885HPGD 2056/4885ALDH1A1 2696/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP SMN1; SMN2 4599/4885HPGD 2700/4885ALDH1A1 2890/4885
US-20080039465-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SMN1; SMN2 2420/4885HPGD 2868/4885ALDH1A1 2935/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK SMN1; SMN2 3671/4885HPGD 1412/4885ALDH1A1 4227/4885
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE ACE, SARS1, ACE2 SMN1; SMN2 890/4885HPGD 3583/4885ALDH1A1 1957/4885

“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.