SCHEMBL6709531

SCHEMBL6709531

CC1CC(=O)N(c2cc(Cl)ccc2C(=O)OCC2C3CCC2N(Cc2ccccc2)C3)C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.38
CHRNA3 P32297 8/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
P2RX7 Q99572 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
BRD4 O60885 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
Hydrochloric Acid SCHEMBL6709630 0.99 CHRNB4 (0.37) CHRNB4CHRNA3MEN1KMT2ATP53
SCHEMBL6708333 0.91 CHRNB4 (0.45) CHRNB4CHRNA3KMT2AGAABRD4
Hydrochloric Acid SCHEMBL6709511 0.90 CHRNB4 (0.45) CHRNB4CHRNA3KMT2AGAA
SCHEMBL6713062 0.89 DRD2 (0.41) CHRNB4CHRNA3DRD2DRD4
Hydrochloric Acid SCHEMBL6708416 0.88 DRD2 (0.41) CHRNB4CHRNA3DRD2DRD4
SCHEMBL6712818 0.87 CHRNB4 (0.38) CHRNB4CHRNA3KMT2AP2RX7DRD2
SCHEMBL6709552 0.87 CHRNB4 (0.38) CHRNB4CHRNA3MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL6709501 0.86 CHRNB4 (0.37) CHRNB4CHRNA3KMT2AP2RX7DRD2
Hydrochloric Acid SCHEMBL6711193 0.86 CHRNB4 (0.37) CHRNB4CHRNA3MEN1KMT2AGAA
SCHEMBL6711106 0.86 CHRNB2 (0.44) CHRNB4CHRNA3MEN1KMT2AGAA

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-20040110788-A1 Nicotinic acetylcholine receptor ligands MERCK PATENT GMBH (DE) 2004-06-10 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-20040110788-A1 Nicotinic acetylcholine receptor ligands CHRNA1, CHRNA2, CHRNA10 CHRNB4 19/4885CHRNA3 9/4885MEN1 3792/4885

“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.