SCHEMBL121024

SCHEMBL121024

CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 5/20 0.46
FPR2 P25090 2/20 0.46
AKT1 P31749 11/20 0.40
SSTR4 P31391 1/20 0.40
NTRK1 P04629 3/20 0.39
AKT2 P31751 3/20 0.38
JAK2 O60674 1/20 0.38
SGK1 O00141 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KB1 P23443 1/20 0.38
PRKCQ Q04759 1/20 0.38
ROCK1 Q13464 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
AKT3 Q9Y243 1/20 0.38

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
SCHEMBL461792 1.00 FPR1 (0.46) FPR1FPR2AKT1SSTR4NTRK1
SCHEMBL146484 0.90 KDM1A (0.40) FPR1FPR2NTRK1
SCHEMBL146483 0.90 KDM1A (0.40) FPR1FPR2NTRK1
SCHEMBL146482 0.90 KDM1A (0.40) FPR1FPR2NTRK1
SCHEMBL13178100 0.88 FPR1 (0.46) FPR1FPR2AKT1SSTR4AKT2
SCHEMBL12891129 0.88 FPR1 (0.46) FPR1FPR2AKT1SSTR4AKT2
SCHEMBL121035 0.87 SSTR4 (0.46) FPR1FPR2SSTR4
SCHEMBL1721284 0.84 FPR1 (0.47) FPR1FPR2AKT1NTRK1AKT2
SCHEMBL12284238 0.83 FPR1 (0.53) FPR1FPR2NTRK1
SCHEMBL764675 0.83 FPR1 (0.53) FPR1FPR2NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 EP claimed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 WO claimed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-02-16 US disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
EP-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2010103335-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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 (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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 FPR1 717/4885FPR2 571/4885AKT1 3437/4885
US-20120040953-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 FPR1 909/4885FPR2 525/4885AKT1 3783/4885

“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.