SCHEMBL24925711

SCHEMBL24925711

CC(C)OC(=O)N(CCO)CCOI

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL10716993 0.87 TSHR (0.39) CHRNB2CHRNB4CHRNA3CHRNA4HDAC1
SCHEMBL25840464 0.80 CA12 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4HDAC1
SCHEMBL10643661 0.73 TSHR (0.33) CHRNB2CHRNB4CHRNA3CHRNA4HDAC1
SCHEMBL11599452 0.72 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12514257 0.71 CA12 (0.43) HDAC1HDAC6TSHR
SCHEMBL9303490 0.71 TSHR (0.42) HDAC1HDAC6TSHR
SCHEMBL6872052 0.71 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22861460 0.70 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL12701851 0.70 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL11871517 0.68 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF EVOTEC (FRANCE) SAS (FR) 2023-01-19 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 (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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR CHRNB2 4814/4885CHRNB4 4831/4885CHRNA3 4838/4885
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR CHRNB2 4814/4885CHRNB4 4831/4885CHRNA3 4838/4885

“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.