SCHEMBL5090920

SCHEMBL5090920

C[C@@H]1CCN(c2ccc(Cl)nc2)C[C@H]1N(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
CHRNB4 P30926 5/20 0.43
CHRNA3 P32297 5/20 0.43
CHRM4 P08173 2/20 0.42
AKR1C3 P42330 1/20 0.40
NOTUM Q6P988 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL5096831 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL5090914 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL5096829 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL2002304 0.84 CHRM4 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL4827578 0.74 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL4827732 0.74 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL4827731 0.74 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL4827574 0.74 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL4827576 0.74 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL27497422 0.72 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3

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-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents ABBOTT LABORATORIES (US) 2008-04-17 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-20080090798-A1 Heterocyclic Substituted Aminoazacycles Useful as Central Nervous System Agents GRIN3A, GAP43, GRIN3B CHRNB2 31/4885CHRNA4 19/4885CHRNB4 38/4885

“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.