SCHEMBL8115259

SCHEMBL8115259

CC(C)(C)OC(=O)N1CCN[C@H](CSc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
USP30 Q70CQ3 4/20 0.42
PRMT5 O14744 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STS P08842 1/20 0.40
NAMPT P43490 1/20 0.40
HPGDS O60760 2/20 0.40
RORC P51449 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8238692 1.00 MAPK1 (0.46) MAPK1GPR119JAK2JAK1KDM4E
SCHEMBL3494790 0.83 CA1 (0.54) MAPK1GPR119JAK2JAK1KDM4E
SCHEMBL2943387 0.83 CA1 (0.54) MAPK1GPR119JAK2JAK1KDM4E
SCHEMBL17058 0.83 CA1 (0.54) MAPK1GPR119JAK2JAK1KDM4E
SCHEMBL3492617 0.82 CA1 (0.43) SMN1; SMN2ALDH1A1HPGD
SCHEMBL3493905 0.82 CA1 (0.43) SMN1; SMN2ALDH1A1HPGD
SCHEMBL13705091 0.81 LTA4H (0.46) MAPK1GPR119JAK2JAK1KDM4E
SCHEMBL15645152 0.81 LTA4H (0.46) MAPK1GPR119JAK2JAK1KDM4E
SCHEMBL7047899 0.81 JAK2 (0.47) MAPK1GPR119JAK2JAK1KDM4E
SCHEMBL3493648 0.81 LTA4H (0.46) MAPK1GPR119JAK2JAK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 (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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 MAPK1 1315/4885GPR119 689/4885JAK2 922/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPK1 422/4885GPR119 310/4885JAK2 980/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPK1 422/4885GPR119 310/4885JAK2 980/4885

“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.