SCHEMBL1017524

SCHEMBL1017524

CC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.44
AKR1C3 P42330 1/20 0.38
FAAH O00519 1/20 0.37
BRAF P15056 1/20 0.36
MTOR P42345 1/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CPS1 P31327 1/20 0.34
CCR2 P41597 2/20 0.33
NR1H4 Q96RI1 3/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32
ENPP2 Q13822 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
SCHEMBL1017779 0.84 GPR119 (0.44) RORCFAAH
SCHEMBL1015773 0.83 RORC (0.40) RORCAKR1C3FAAHBRAFDRD2
SCHEMBL3495908 0.83 GAA (0.47) RORCAKR1C3FAAHBRAFMTOR
SCHEMBL1016585 0.83 GAA (0.47) RORCAKR1C3FAAHBRAFMTOR
SCHEMBL1016587 0.83 GAA (0.47) RORCAKR1C3FAAHBRAFMTOR
SCHEMBL1017691 0.79 AKR1C3 (0.45) RORCAKR1C3FAAHDRD2DRD4
SCHEMBL12143044 0.74 NOTUM (0.44) RORCNR1H4
SCHEMBL23538793 0.74 AKR1C3 (0.48) RORCAKR1C3FAAHDRD2DRD4
SCHEMBL4668901 0.74 AKR1C3 (0.48) RORCAKR1C3FAAHDRD2DRD4
SCHEMBL30307832 0.74 AKR1C3 (0.48) RORCAKR1C3FAAHBRAFDRD2

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
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF RORC 1245/4885AKR1C3 782/4885FAAH 3225/4885

“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.