SCHEMBL6156057

SCHEMBL6156057

CC(C)(C)OC(=O)N1CCC(CCOC(=O)N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.67
CHRM4 P08173 6/20 0.60
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
TGFBR1 P36897 1/20 0.51

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
SCHEMBL6161326 0.89 GPR119 (0.52) GPR119CHRM4TGFBR1
SCHEMBL1458887 0.84 GPR119 (0.76) GPR119
SCHEMBL314057 0.84 GPR119 (0.59) GPR119CHRM4
SCHEMBL18891231 0.82 KDM4E (0.64) GPR119CHRM4KDM4EPKM
SCHEMBL314929 0.82 CHRM4 (0.61) GPR119CHRM4KDM4E
SCHEMBL6156540 0.81 GPR119 (0.53) GPR119KDM4EPKM
SCHEMBL30980711 0.81 GPR119 (0.70) GPR119CHRM4KDM4EPKM
Hydrochloric Acid SCHEMBL6150359 0.81 CHRM4 (0.60) GPR119CHRM4KDM4E
SCHEMBL12736051 0.81 GPR119 (0.59) GPR119KDM4EPKMTGFBR1
SCHEMBL3360747 0.81 KDM4E (0.56) GPR119CHRM4KDM4EPKM

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 3 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

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 GPR119 789/4885CHRM4 205/4885KDM4E 470/4885

“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.