SCHEMBL3316955

SCHEMBL3316955

CCOC(=O)CCCCNn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 2/20 0.39
P2RX3 P56373 2/20 0.37
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 2/20 0.34
FOXO1 Q12778 1/20 0.34
S1PR3 Q99500 1/20 0.34
CASP3 P42574 4/20 0.33
CNR1 P21554 2/20 0.33
TNF P01375 1/20 0.33
NAMPT P43490 1/20 0.33
BRD4 O60885 1/20 0.33
TSHR P16473 2/20 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
SCHEMBL13333112 0.97 MEN1 (0.40) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13333122 0.89 KMT2A (0.41) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13333082 0.88 MEN1 (0.41) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13333138 0.88 MEN1 (0.41) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13332768 0.87 TNF (0.41) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13332772 0.87 TNF (0.41) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL3312335 0.86 MEN1 (0.41) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13332591 0.86 TNF (0.44) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13332763 0.86 MEN1 (0.41) MEN1GAAKMT2ACNR2P2RX3
SCHEMBL13332692 0.86 TNF (0.44) MEN1GAAKMT2ACNR2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 MEN1 3655/4885GAA 4306/4885KMT2A 4094/4885

“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.