SCHEMBL5057785

SCHEMBL5057785

CN(C(=O)c1csc(C2CCN(C(=O)Cc3ccccc3F)CC2)n1)c1c2c(nn1C)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
PPARG P37231 1/20 0.34
SPR P35270 2/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRIA2 P42262 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CCR3 P51677 1/20 0.32

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
SCHEMBL5065454 0.91 ALDH1A1 (0.36) PPARGSPRCYP2C9OPRD1OPRK1
Hydrochloric Acid SCHEMBL5061752 0.90 ALDH1A1 (0.35) PPARGSPRCYP2C9OPRD1OPRK1
SCHEMBL5057786 0.77 CNR1 (0.48) CNR1PPARGTP53GAA
SCHEMBL9109184 0.69 SPR (0.44) SPRCCR3
SCHEMBL2578514 0.67 CCR5 (0.41) PPARGCYP2C9OPRD1OPRK1
SCHEMBL17766766 0.66 FAAH (0.39)
SCHEMBL4789205 0.66 KMT2A (0.42) CCR3
SCHEMBL2586402 0.66 KMT2A (0.42) CCR3
SCHEMBL5062062 0.66 ALDH1A1 (0.48) PPARGTP53CYP2C9
SCHEMBL778489 0.66 ALDH1A1 (0.39) SPRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US claimed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders ARENA PHARMACEUTICALS, INC (US) 2008-12-11 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders ARENA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
EP-1735622-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2006-12-27 EP disclosed
WO-2005116653-A2 MODULATORS OF HUMAN G PROTEIN-COUPLED RECEPTORS FOR THE TREATMENT OF HYPERGLYCEMIA AND RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2005-12-08 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 (2 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-20070231263-A1 Human G protein-coupled receptor and modulators thereof for the treatment of hyperglycemia and related disorders GPR119, GCGR, GLP1R CNR1 90/4885PPARG 101/4885SPR 1413/4885
US-20080306114-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Hyperglycemia and Related Disorders GPR119, GCGR, GLP1R CNR1 90/4885PPARG 101/4885SPR 1413/4885

“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.