SCHEMBL2843467

SCHEMBL2843467

OCCCCC#Cc1cncc(OCC2CCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 1.00
CHRNA4 P43681 10/20 1.00
CHRNA2 Q15822 4/20 1.00
CHRNA3 P32297 4/20 1.00
CHRNB4 P30926 2/20 1.00

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
SCHEMBL2495999 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL29454390 0.99 CHRNB2 (0.98) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL4727391 0.92 CHRNB2 (0.86) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL2495855 0.92 CHRNB2 (0.86) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL4726141 0.89 CHRNB2 (0.80) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL2501437 0.89 CHRNB2 (0.80) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL7674769 0.88 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL14940937 0.87 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL16321698 0.87 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL7666187 0.87 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776030-B1 2,5-DISUBSTITUTED-PYRIDYL NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-13 EP disclosed
US-8642612-B2 Nicotinic desensitizers and methods of selecting, testing, and using them POTOMAC PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-8642612-B2 Nicotinic desensitizers and methods of selecting, testing, and using them POTOMAC PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-20100129291-A1 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES (US) 2010-05-27 US disclosed
WO-2008011484-A2 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES, LLC (US) 2008-01-24 WO disclosed
WO-2008011484-A2 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES, LLC (US) 2008-01-24 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-20100129291-A1 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM CHRNA5, CHRNA2, CHRNA10 CHRNB2 7/4885CHRNA4 4/4885CHRNA2 2/4885

“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.