SCHEMBL15499686

SCHEMBL15499686

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAOB P27338 6/20 0.42
FAAH O00519 2/20 0.42
ABCB1 P08183 1/20 0.40
ENPP2 Q13822 1/20 0.39
MAOA P21397 3/20 0.38
GHSR Q92847 1/20 0.38
F10 P00742 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL15499688 0.87 ABCB1 (0.42) MAOBABCB1MAOANR4A2
SCHEMBL15743872 0.85 ABCB1 (0.44) MAOBABCB1MAOAGHSRRAB9A
SCHEMBL17794139 0.84 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4MAOB
SCHEMBL15499685 0.81 ABCB1 (0.47) MAOBABCB1MAOA
SCHEMBL17794171 0.81 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4MAOB
SCHEMBL15743874 0.81 ABCB1 (0.41) MAOBABCB1MAOAGHSR
SCHEMBL15499689 0.79 F10 (0.41) MAOBABCB1F10
SCHEMBL9239190 0.76 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4FAAH
SCHEMBL9239198 0.76 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4FAAH
SCHEMBL17794123 0.76 SLC6A2 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRNB4 82/4885CHRNA3 270/4885CHRNB2 25/4885

“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.