SCHEMBL22522759

SCHEMBL22522759

CN[C@H]1C[C@H](C(=O)Nc2ncc(C3CCCCC3)s2)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CCNE1 P24864 14/20 0.53
▸ CDK2 P24941 14/20 0.53
▸ CDK5 Q00535 14/20 0.53
▸ CDK5R1 Q15078 1/20 0.48
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL22522948 0.91 SMN1; SMN2 (0.56) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL22523043 0.91 SMN1; SMN2 (0.56) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL22522971 0.87 SMN1; SMN2 (0.45) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL24246502 0.86 SMN1; SMN2 (0.61) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL20883077 0.86 SMN1; SMN2 (0.66) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL20883052 0.86 SMN1; SMN2 (0.66) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL22523005 0.85 CCNE1 (0.54) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL22523008 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL22523021 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CCNE1CDK2CDK5CDK5R1
SCHEMBL20877548 0.84 CCNE1 (0.50) SMN1; SMN2CCNE1CDK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317658-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 30 FORMA THERAPEUTICS, INC. 2020-10-08 — — 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-20200317658-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 30 USP30, UCHL1, UCHL3 SMN1; SMN2 88/4885CCNE1 3461/4885CDK2 1919/4885

“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.

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