SCHEMBL7904171

SCHEMBL7904171

CC(C)(C)OC(=O)NC1CC1c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.57
MAOB P27338 3/20 0.55
MAOA P21397 2/20 0.51
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 1/20 0.45
F2R P25116 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RIPK1 Q13546 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
MAP3K5 Q99683 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13272369 0.86 KDM1A (0.58) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL23369468 0.85 AKT1 (0.44) KDM1AMAOBF2R
SCHEMBL19181206 0.85 AKT1 (0.44) KDM1AMAOBF2R
SCHEMBL21935980 0.85 AKT1 (0.44) KDM1AMAOBF2R
SCHEMBL21622316 0.85 AKT1 (0.44) KDM1AMAOBF2R
SCHEMBL19181167 0.85 AKT1 (0.44) KDM1AMAOBF2R
SCHEMBL15540982 0.85 KDM1A (0.57) KDM1AMAOBMAOADPP4DPP8
SCHEMBL21048167 0.85 KDM1A (0.57) KDM1AMAOBMAOASMN1; SMN2NPSR1
SCHEMBL15540980 0.85 KDM1A (0.57) KDM1AMAOBMAOADPP4DPP8
SCHEMBL7857682 0.85 KDM1A (0.57) KDM1AMAOBMAOASMN1; SMN2NPSR1

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-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-8299100-B2 Potent and selective neuronal nitric oxide synthase inhibitors with improved membrane permeability NORTHWESTERN UNIVERSITY (US) 2012-10-30 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
US-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NORTHWESTERN UNIVERSITY 2010-07-29 US disclosed
WO-2010085749-A2 POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS WITH IMPROVED MEMBRANE PERMEABILITY NORTHWESTERN UNIVERSITY (US) 2010-07-29 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-20100190230-A1 Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors with Improved Membrane Permeability NOS1, NOS2, NOS3 KDM1A 2593/4885MAOB 95/4885MAOA 109/4885

“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.