SCHEMBL9927075

SCHEMBL9927075

CC(C)C(=O)N1CCC[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
DPP4 P27487 9/20 0.43
DPP7 Q9UHL4 8/20 0.43
FAP Q12884 5/20 0.43
DPP8 Q6V1X1 4/20 0.43
PREP P48147 4/20 0.43
DPP9 Q86TI2 3/20 0.43
ACE P12821 5/20 0.41
REN P00797 3/20 0.41
PITRM1 Q5JRX3 1/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL17323644 1.00 GAA (0.46) GAAHPGDDPP4DPP7FAP
SCHEMBL1106509 1.00 GAA (0.46) GAAHPGDDPP4DPP7FAP
SCHEMBL17323635 0.94 HPGD (0.53) GAAHPGDDPP7LMNAHSD17B10
SCHEMBL17323629 0.94 HPGD (0.53) GAAHPGDDPP7LMNAHSD17B10
SCHEMBL4546663 0.94 HPGD (0.53) GAAHPGDDPP7LMNAHSD17B10
SCHEMBL17323643 0.87 PIK3CD (0.41) GAAHPGDDPP4DPP7FAP
SCHEMBL14656006 0.84 DPP4 (0.62) GAAHPGDDPP4DPP7FAP
SCHEMBL15832327 0.84 GAA (0.43) GAAHPGDDPP4DPP7FAP
SCHEMBL12709881 0.82 DPP4 (0.46) GAAHPGDDPP4DPP7FAP
SCHEMBL13111950 0.81 ACE (0.47) DPP4DPP7FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2019-05-09 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 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 (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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GAA 6/4885HPGD 571/4885DPP4 109/4885
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 GAA 3657/4885HPGD 2234/4885DPP4 2621/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 GAA 3837/4885HPGD 2371/4885DPP4 2571/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 GAA 3657/4885HPGD 2234/4885DPP4 2621/4885
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR GAA 1578/4885HPGD 1325/4885DPP4 620/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 GAA 100/4885HPGD 221/4885DPP4 1461/4885
US-20190135813-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 GAA 3657/4885HPGD 2234/4885DPP4 2621/4885

“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.