SCHEMBL23906198

SCHEMBL23906198

CCN1CC(C(=O)OC2CCNCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL23906197 0.91 SLC6A1 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23906200 0.83 CHRNB2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23906202 0.79 KDM2B (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22445486 0.77 GABRA1 (0.44) CHRM2CHRM4CHRM1CHRM3TPSAB1
SCHEMBL9346315 0.77 GABRA1 (0.50) CHRM2CHRM1CHRM3TPSAB1TPSD1
SCHEMBL9348783 0.73 SCN1A (0.40) CHRM4CHRM5CHRM1CHRM3GABRP
SCHEMBL23906538 0.73 KDM2B (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14810067 0.73 GABRA1 (0.50) CHRM2CHRM4CHRM1CHRM3TPSAB1
SCHEMBL26030610 0.73 SMN1; SMN2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL29098542 0.72 TSHR (0.40) CHRM3SMN1; SMN2TPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
US-11673879-B2 Substituted pyrimidines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-13 US disclosed
WO-2021203131-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-10-07 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 (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-11673879-B2 Substituted pyrimidines and methods of use ALK, TYMP, ENTPD5 CHRM2 2479/4885CHRM4 2028/4885CHRM5 569/4885
US-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CHRM2 2479/4885CHRM4 2028/4885CHRM5 569/4885

“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.