SCHEMBL4866272

SCHEMBL4866272

CC(C)[C@@H](C(=O)CS)[C@H](C)N1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.32
CHRM4 P08173 4/20 0.32
CHRM5 P08912 4/20 0.32
CHRM1 P11229 4/20 0.32
CHRM3 P20309 4/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL4864379 0.84
SCHEMBL4875658 0.76 MAPT (0.33) SLC6A2SLC6A4SLC6A3DPP7
SCHEMBL13256071 0.70 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL12257624 0.70 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL13417351 0.70 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL4866266 0.68 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL23733535 0.67 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL6900904 0.67 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL13417397 0.67 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL12259536 0.67 SMN1; SMN2 (0.41) SMN1; SMN2

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-7335781-B2 Aminothiol compound HUEY JIIN CO., LTD. (TW) 2008-02-26 US disclosed
US-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries HUEY JIIN CO., LTD. (TW) 2004-09-16 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 (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-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries ALDH7A1, ALDH3A1, ALDH1A1 CHRM2 1797/4885CHRM4 2948/4885CHRM5 656/4885

“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.