SCHEMBL5111216

SCHEMBL5111216

CN(C)CCCc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NOS1 P29475 5/20 0.38
SLC6A4 P31645 7/20 0.38
MPO P05164 1/20 0.38
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
POLQ O75417 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL31162543 0.90 NR1H2 (0.49) NR1H2GLAPOLBGAATSHR
SCHEMBL26460616 0.85 GAA (0.55) NR1H2GLAPOLBGAATSHR
SCHEMBL13991110 0.84 NR1H2 (0.47) NR1H2GLAPOLBGAATSHR
SCHEMBL11798096 0.82 NR1H2 (0.50) NR1H2GLAPOLBGAATSHR
SCHEMBL374610 0.80 NR1H2 (0.51) NR1H2GLAPOLBGAATSHR
SCHEMBL30401867 0.80 NR1H2 (0.51) NR1H2GLAPOLBGAATSHR
SCHEMBL2795017 0.80 GAA (0.50) NR1H2GLAPOLBGAATSHR
SCHEMBL20568125 0.80 NR1H2 (0.49) NR1H2GLAPOLBGAATSHR
SCHEMBL498104 0.79 S1PR1 (0.50) NR1H2GLAPOLBGAATSHR
SCHEMBL22300570 0.79 NOS1 (0.46) NOS1SLC6A4MPONOS3NOS2

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-8609656-B2 Heteroarylphenylurea derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-12-17 US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 US disclosed
EP-1724258-A1 HETEROARYLPHENYLUREA DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 NR1H2 421/4885GLA 3615/4885POLB 3004/4885

“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.