SCHEMBL5573580

SCHEMBL5573580

CC1CN(C(=O)O)CCN1c1nccnc1OCc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.43
GPR119 Q8TDV5 8/20 0.41
GFER P55789 1/20 0.40
SLC6A7 Q99884 1/20 0.39
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL2382879 0.86 GPR119 (0.56) GPR119
SCHEMBL2640249 0.83 SLC6A7 (0.41) SMOGFERSLC6A7
SCHEMBL2382673 0.80 TRPV1 (0.42) SMOGFER
SCHEMBL4312693 0.79 SMO (0.44) SMOGPR119
SCHEMBL2384794 0.78 EPHB4 (0.46) GFER
SCHEMBL7475629 0.77 SMO (0.40) SMOGFERSLC6A7
SCHEMBL3119867 0.74 SLC6A7 (0.43) SMOGFERSLC6A7
Hydrochloric Acid SCHEMBL7402711 0.74 GFER (0.55) SMOGFERSLC6A7
SCHEMBL5572419 0.71 HRH4 (0.48) SMOGPR119HRH4
SCHEMBL2386443 0.70 GPR119 (0.68) GPR119HRH4

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-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR SMO 813/4885GPR119 686/4885GFER 4238/4885

“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.