SCHEMBL7099544

SCHEMBL7099544

CN(CC/C=C/c1ccc[n+]([O-])c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
GBA1 P04062 1/20 0.32
METAP2 P50579 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
MMP13 P45452 1/20 0.30

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
SCHEMBL3322749 0.81 MMP13 (0.34) MEN1KMT2AMMP13
SCHEMBL3322756 0.81 MMP13 (0.34) MEN1KMT2AMMP13
SCHEMBL7099273 0.78 TBXAS1 (0.49) MEN1KMT2A
SCHEMBL7099269 0.78 TBXAS1 (0.49) MEN1KMT2A
SCHEMBL5891278 0.75 HTR2C (0.44) MEN1KMT2AHTR2CSLC6A4
SCHEMBL6050521 0.73 GBA1 (0.42) PDK2GBA1METAP2HTR2CSLC6A4
SCHEMBL6458723 0.73 CA2 (0.38) MMP13
SCHEMBL7529058 0.71 SYK (0.40) MMP13
SCHEMBL6663163 0.68 RAF1 (0.46) PDK2GBA1
SCHEMBL617887 0.67 MEN1 (0.51) MEN1KMT2AHTR2CSLC6A4

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-20030087915-A1 Pharmaceutical compositions and methods for use DULL GARY MAURICE (US) 2003-05-08 US disclosed
US-6492399-B1 SUCH AS N-METHYL-4-(3-(5-NITRO-6-AMINOPYRIDIN)YL)-3-BUTEN-1-AMINE; NICOTINIC CHOLINERGIC RECEPTOR AGONISTS TARGACEPT, INC. 2002-12-10 US disclosed
US-6455554-B1 COMPOUNDS CAPABLE OF AFFECTING NICOTINIC CHOLINERGIC RECEPTORS; TREATOMG CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT, INC. 2002-09-24 US disclosed
EP-1185514-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 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-20030087915-A1 Pharmaceutical compositions and methods for use H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, HTR3E PDK2 2634/4885GBA1 2302/4885METAP2 1748/4885

“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.