SCHEMBL12467470

SCHEMBL12467470

CC(=NC(C)c1ccccc1)c1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.42
▸ TACR1 P25103 9/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 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
SCHEMBL12467471 1.00 NOS2 (0.42) NOS2TACR1LMNATAS2R14GPR139
SCHEMBL12402683 0.92 TACR1 (0.47) NOS2TACR1LMNAGPR139IDO1
SCHEMBL12402681 0.92 TACR1 (0.47) NOS2TACR1LMNAGPR139IDO1
SCHEMBL12154028 0.92 TACR1 (0.47) NOS2TACR1LMNAGPR139IDO1
SCHEMBL12154055 0.81 NOS2 (0.47) NOS2LMNAMEN1KMT2A
SCHEMBL3091964 0.74 NOS2 (0.60) NOS2LMNAMAPT
SCHEMBL6901975 0.74 NOS2 (0.60) NOS2LMNAMAPT
SCHEMBL6898289 0.74 NOS2 (0.60) NOS2LMNAMAPT
SCHEMBL3091960 0.74 NOS2 (0.60) NOS2LMNAMAPT
SCHEMBL6901967 0.74 NOS2 (0.60) NOS2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985880-B2 Method for producing optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy-substituted phenyl) alkylamine N-monoalkyl derivative CENTRAL GLASS COMPANY, LIMITED (JP) 2011-07-26 — — US disclosed
US-20090326272-A1 Method for Producing Optically Active 1-(Fluoro-, Trifluoromethyl- or Trifluoromethoxy-Substituted Phenyl) Alkylamine N-Monoalkyl Derivative CENTRAL GLASS COMPANY, LIMITED (JP) 2009-12-31 — — US 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-20090326272-A1 Method for Producing Optically Active 1-(Fluoro-, Trifluoromethyl- or Trifluoromethoxy-Substituted Phenyl) Alkylamine N-Monoalkyl Derivative NAT1, MAOA, HNMT NOS2 211/4885TACR1 3349/4885LMNA 2183/4885

“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.

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