SCHEMBL3048130

SCHEMBL3048130

O=C(O)NC1CC1c1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM1A O60341 3/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
CNR1 P21554 1/20 0.43
EPHX2 P34913 3/20 0.42
CSNK1E P49674 1/20 0.42
GRIA4 P48058 1/20 0.42

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
SCHEMBL13858649 0.84 AKT1 (0.45)
SCHEMBL13858498 0.84 AKT1 (0.45)
SCHEMBL3028226 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1KDM1AHTR2AHTR2C
SCHEMBL8331175 0.82 DPP4 (0.47) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL6154005 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL7980208 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL6153775 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL3457343 0.81 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL7006409 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1KDM1AMAOAMAOB
SCHEMBL7006403 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1KDM1AMAOAMAOB

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 3 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-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 SMN1; SMN2 66/4885NPSR1 674/4885KDM1A 2593/4885

“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.