SCHEMBL29959593

SCHEMBL29959593

c1cncc(N2CCCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.76
CHRNA4 P43681 6/20 0.76
CHKA P35790 1/20 0.56
CHRNA7 P36544 2/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRND Q07001 1/20 0.51

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
SCHEMBL161236 1.00 CHRNB2 (0.76) CHRNB2CHRNA4CHKACHRNA7CHRNA1
SCHEMBL30241910 0.98 CHRNB2 (0.73) CHRNB2CHRNA4CHKACHRNA7CHRNA1
SCHEMBL30241909 0.98 CHRNB2 (0.73) CHRNB2CHRNA4CHKACHRNA7CHRNA1
SCHEMBL1462348 0.98 CHRNB2 (0.73) CHRNB2CHRNA4CHKACHRNA7CHRNA1
SCHEMBL11544331 0.96 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL6352765 0.88 CHRNB2 (0.61) CHRNB2CHRNA4
SCHEMBL5655866 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL6350076 0.86 CHRNB2 (0.91) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL5655570 0.84 CHRNB2 (0.61) CHRNB2CHRNA4CHKA
SCHEMBL3061045 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025083630-A1 HETEROAROMATIC COMPOUNDS AS MUSCARINIC M4 RECEPTOR POSITIVE ALLOSTERIC MODULATORS (M4 PAMS) SUVEN LIFE SCIENCES LIMITED (IN) 2025-04-24 WO claimed
EP-4061813-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2022-09-28 EP claimed
WO-2025083630-A1 HETEROAROMATIC COMPOUNDS AS MUSCARINIC M4 RECEPTOR POSITIVE ALLOSTERIC MODULATORS (M4 PAMS) SUVEN LIFE SCIENCES LIMITED (IN) 2025-04-24 WO disclosed
CN-119120406-A Imine reductase mutant and application thereof 仙居两山生物科技有限公司 2024-12-13 CN disclosed
US-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2024-09-26 US disclosed
US-20240279215-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED 2024-08-22 US disclosed
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 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 (3 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-20240317721-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN KRAS, NRAS, APC CHRNB2 4860/4885CHRNA4 4873/4885CHKA 3001/4885
US-20240279215-A1 NAMPT MODULATORS NAMPT, SIRT1, NNT CHRNB2 2854/4885CHRNA4 2804/4885CHKA 3593/4885
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 CHRNB2 696/4885CHRNA4 1015/4885CHKA 2042/4885

“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.