SCHEMBL6813249

SCHEMBL6813249

C(=C/C1CCCCN1)\c1ccno1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
KHK P50053 1/20 0.32
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6813254 1.00 MEN1 (0.33) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL6820969 1.00 MEN1 (0.33) MEN1CYP2D6CYP2C19KMT2APOLB
SCHEMBL6812558 0.95 KHK (0.34) CHRNB2CHRNA7CHRNA4KHK
SCHEMBL6817302 0.95 KHK (0.34) CHRNB2CHRNA7CHRNA4KHK
SCHEMBL6817295 0.95 KHK (0.34) CHRNB2CHRNA7CHRNA4KHK
SCHEMBL6821429 0.95 KHK (0.34) CHRNB2CHRNA7CHRNA4KHK
SCHEMBL6817271 0.95 KHK (0.34) CHRNB2CHRNA7CHRNA4KHK
SCHEMBL6821406 0.91
SCHEMBL6821403 0.91
SCHEMBL6816924 0.80

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
WO-2004009599-A1 FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-01-29 WO claimed
US-20020160998-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-10-31 US claimed
WO-2004009599-A1 FIVE-MEMBERED HETEROAROMATIC OLEFINIC AZACYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NCOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-01-29 WO disclosed
US-20020160998-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-10-31 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-20020160998-A1 Pharmaceutical compositions and methods for use AADAC, CYP3A7, CYP3A5 MEN1 3214/4885CYP2D6 11/4885CYP2C19 21/4885

“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.