SCHEMBL6151980

SCHEMBL6151980

CCc1nc2cnccc2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
P2RX3 P56373 4/20 0.44
RORC P51449 1/20 0.44
P2RX2 Q9UBL9 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
P2RX7 Q99572 2/20 0.41
CNR2 P34972 2/20 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
SCHEMBL6401320 0.92 GPR119 (0.48) GPR119P2RX3RORCP2RX2CNR2
SCHEMBL6157116 0.88 GPR119 (0.48) GPR119RORCKDM4EPKMP2RX7
SCHEMBL6156309 0.83 GPR119 (0.45) GPR119RORCKDM4EPKMP2RX7
SCHEMBL6147993 0.77 GPR119 (0.50) GPR119KDM4EPKMP2RX7
SCHEMBL13834740 0.77 BRD4 (0.48) GPR119KDM4EPKM
SCHEMBL2029083 0.77 BRD4 (0.48) GPR119KDM4EPKM
SCHEMBL1333790 0.75 CNR2 (0.56) P2RX3CNR2
SCHEMBL13264168 0.75 CNR2 (0.56) P2RX3CNR2
SCHEMBL3867936 0.75 FPR2 (0.41) GPR119P2RX3RORCKDM4EPKM
Hydrochloric Acid SCHEMBL6149148 0.74 CNR2 (0.44) CNR2

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 789/4885P2RX3 430/4885RORC 1862/4885

“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.