SCHEMBL19166265

SCHEMBL19166265

C=CC[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CTSK P43235 12/20 0.47
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CTSS P25774 4/20 0.42
MAPT P10636 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL17951340 1.00 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL7515863 1.00 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL1128203 0.87 CA1 (0.44) CA1CA2CA7CTSKCYP2D6
SCHEMBL75827 0.84 CTSK (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL73696 0.84 CTSK (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL73697 0.84 CTSK (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL7743860 0.84 CTSK (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL27646611 0.82 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL27646608 0.82 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL27479498 0.82 CA1 (0.49) CA1CA2CA7CTSKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638017-A Preparation method and application of chiral 4-aminopentanol 上海华默西医药科技有限公司 2024-09-13 CN disclosed
CN-116745292-A Substituted pyridotriazine compounds and uses thereof 吉利德科学公司 2023-09-12 CN disclosed
US-20170210765-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-27 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-20170210765-A1 PROCESS FOR PREPARING ALPHA-SILYLAMINE COMPOUNDS FROM ALPHA-SILYLMETHYL AZIDE COMPOUNDS ITGAL, MANBA, ITGA1 CA1 1301/4885CA2 2831/4885CA7 1662/4885

“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.