SCHEMBL6151819

SCHEMBL6151819

CC(C)(C)OC(=O)N1CCC(CNc2ccncc2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
GPR119 Q8TDV5 7/20 0.50
SYK P43405 1/20 0.49
BCDIN3D Q7Z5W3 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
BRD4 O60885 1/20 0.47
NAMPT P43490 2/20 0.46
KDM1A O60341 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
GRIN2B Q13224 2/20 0.45
CYP3A4 P08684 1/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL13834763 0.94 IDO1 (0.55) KDM4EPKMGPR119SYKBCDIN3D
SCHEMBL5256392 0.85 KDM4C (0.41) KDM4EPKMGPR119SYKBCDIN3D
SCHEMBL30703662 0.84 KDM4E (0.61) KDM4EPKMGPR119SYKBCDIN3D
SCHEMBL22716661 0.84 KDM4E (0.61) KDM4EPKMGPR119SYKBCDIN3D
SCHEMBL4718908 0.84 KDM4E (0.48) KDM4EPKMGPR119SYKBCDIN3D
SCHEMBL2248074 0.84 DYRK1A (0.56) GPR119NAMPTCCNA2CDK2
SCHEMBL3871083 0.82 GRIN2B (0.47) CYP2D6CYP2C9GRIN2BCYP3A4
SCHEMBL6148442 0.82 CYP2D6 (0.64) KDM4EPKMGPR119CYP2D6CYP2C9
SCHEMBL5662290 0.82 KDM4E (0.51) KDM4EPKMGPR119SYKBCDIN3D
SCHEMBL4665126 0.81 GPR119 (0.52) KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 WO disclosed
EP-0790998-B1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE URIACH & CIA SA J (ES) 2001-01-17 EP disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
EP-0790998-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-08-27 EP disclosed
WO-1997009329-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-03-13 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 (1 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 KDM4E 470/4885PKM 3864/4885GPR119 789/4885

“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.