SCHEMBL3926231

SCHEMBL3926231

N=C(N)N(O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.51
NOS1 P29475 3/20 0.50
AOC3 Q16853 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
IDO1 P14902 3/20 0.44
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3998820 0.86 NOS1 (0.48) ALOX5NOS1AOC3TAAR1GRIN2D
SCHEMBL1744969 0.82 NOS1 (0.52) NOS1AOC3TAAR1GRIN2DGRIN3B
SCHEMBL10592047 0.80 AOC3 (0.55) NOS1AOC3TAAR1GRIN2DGRIN3B
SCHEMBL6378572 0.79 GRIN2D (0.56) ALOX5NOS1AOC3GRIN2DGRIN3B
SCHEMBL3916717 0.78 NOS1 (0.48) NOS1AOC3TAAR1GRIN2DGRIN3B
SCHEMBL17887716 0.77 GRIN2D (0.64) NOS1AOC3TAAR1GRIN2DGRIN3B
SCHEMBL9373618 0.77 ALOX5 (0.57) ALOX5AOC3
SCHEMBL1520687 0.75 ALOX5 (0.65) ALOX5AOC3TAAR1CYP1A2CYP3A4
SCHEMBL11643863 0.74 NOS1 (0.44) NOS1AOC3TAAR1GRIN2DGRIN3B
SCHEMBL27914440 0.74 ALOX5 (0.63) ALOX5AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911372-A1 COMPOUND TARGETING NOREPINEPHRINE TRANSPORTER Guangzhou Miphere Medical Technology Co., Ltd. (CN) 2021-11-24 EP disclosed
WO-2020148154-A1 COMPOUND TARGETING NOREPINEPHRINE TRANSPORTER JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2020-07-23 WO disclosed
US-7534418-B2 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-19 US disclosed
US-20060127309-A1 Imaging agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2006-06-15 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-20060127309-A1 Imaging agents MPI, NPC1, NPC1L1 ALOX5 3762/4885NOS1 3046/4885AOC3 3108/4885

“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.