SCHEMBL6434362

SCHEMBL6434362

C=CCN(CC=C)C(C=C)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP19A1 P11511 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
SCHEMBL5696258 0.81 CYP2C19 (0.39) SMN1; SMN2CYP3A4CYP2C19
SCHEMBL11667062 0.68
SCHEMBL15662055 0.67 CFTR (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP2C19
SCHEMBL5031674 0.66 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP3A4
SCHEMBL11131813 0.66 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP3A4
SCHEMBL418658 0.66 CHKA (0.46) SLC6A2SMN1; SMN2
SCHEMBL15322506 0.64 SMN1; SMN2 (0.41) SLC6A2SLC6A4SMN1; SMN2
SCHEMBL11451095 0.64 TSHR (0.39) SMN1; SMN2CYP3A4CYP2C19
SCHEMBL7349683 0.63 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP3A4
SCHEMBL3408213 0.63 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3SMN1; SMN2CYP3A4

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
US-20050137225-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands KOHN HAROLD (US) 2005-06-23 US disclosed
US-6875774-B2 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands THE UNIVERSITY OF NORTH CAROLINA (US) 2005-04-05 US disclosed
WO-2004013143-A2 AZA-BRIDGED BICYCLIC AMINE DERIVATIVES FOR USE AS NOVEL CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-02-12 WO disclosed
US-20040029911-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands NORTH CAROLINA, UNIVERSITY OF, THE 2004-02-12 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 (2 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-20050137225-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands CHRNA5, CHRNG, CHRNA4 SLC6A2 304/4885SLC6A4 475/4885SLC6A3 320/4885
US-20040029911-A1 Aza-bridged bicyclic amine derivatives for use as novel cholinergic receptor ligands CHRNA5, CHRNG, CHRNA4 SLC6A2 304/4885SLC6A4 475/4885SLC6A3 320/4885

“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.