SCHEMBL25595752

SCHEMBL25595752

CN(C)CCOC(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
BCHE P06276 1/20 0.46
MAPT P10636 2/20 0.44
DNM1 Q05193 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 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
SCHEMBL28098386 0.89 GAA (0.41) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL27645900 0.84 CYP2C9 (0.37) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL28251874 0.83 CHRNB2 (0.33) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL27589109 0.79 ACHE (0.32) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL27768210 0.79 MAPT (0.35) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL26750231 0.77 MAPT (0.49) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL21016721 0.77 ACHE (0.42) SMN1; SMN2ALDH1A1ACHEMAPK1KDM4E
SCHEMBL837536 0.77 CHRNB2 (0.56) CHRNB2CHRNA4CHRM1CHRM2CHRM4
SCHEMBL17660228 0.77 ACHE (0.47) CHRNB2CHRNA4CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL9773688 0.77 BLM (0.32) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
CN-108699103-A AMINE DERIVATIVES OF LUPANES WITH HIV MATURATION INHIBITORY ACTIVITY 葛兰素史克知识产权第二有限公司 2018-10-23 CN disclosed
CN-108368071-A Compounds having HIV maturation inhibitory activity 葛兰素史克知识产权第二有限公司 2018-08-03 CN disclosed
CN-108349963-A sodium channel blockers 株式会社大熊制药 2018-07-31 CN 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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CHRNB2 4830/4885CHRNA4 4848/4885CHRM1 4883/4885

“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.