SCHEMBL15499688

SCHEMBL15499688

CC(C)(C)OC(=O)N1C[C@H](OCc2cccc(F)c2)C[C@H]1COc1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
MAOB P27338 16/20 0.40
MAOA P21397 12/20 0.40
NR4A2 P43354 1/20 0.39
BDKRB2 P30411 1/20 0.38

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
SCHEMBL15499686 0.87 CHRNB4 (0.43) ABCB1MAOBMAOANR4A2
SCHEMBL15743851 0.85 NR1H2 (0.39)
SCHEMBL15499685 0.84 ABCB1 (0.47) ABCB1MAOBMAOABDKRB2
SCHEMBL17794132 0.83 NR1D1 (0.40)
SCHEMBL15499689 0.81 F10 (0.41) ABCB1MAOB
SCHEMBL17794170 0.80 NR1H2 (0.40)
SCHEMBL4325300 0.78 ABCB1 (0.52) ABCB1BDKRB2
SCHEMBL22324645 0.77 ABCB1 (0.43) ABCB1MAOBNR4A2
SCHEMBL15743874 0.77 ABCB1 (0.41) ABCB1MAOBMAOABDKRB2
SCHEMBL15499687 0.77 ABCB1 (0.42) ABCB1MAOBMAOA

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-8735606-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2014-05-27 US disclosed
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-03-06 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-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 ABCB1 2151/4885MAOB 140/4885MAOA 125/4885

“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.