SCHEMBL13500581

SCHEMBL13500581

CCN1CC(=O)N2[C@@H](CC(C)C)C(=O)N(C3CCCCC3)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 13/20 0.40
▸ XIAP P98170 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL745490 0.91 LMNA (0.43) CLPPLMNAHTTSMN1; SMN2CYP3A4
SCHEMBL746316 0.91 CLPP (0.46) CLPPLMNAHTTSMN1; SMN2CYP3A4
SCHEMBL13184737 0.91 CYP3A4 (0.47) LMNAHTTSMN1; SMN2CYP3A4
SCHEMBL748792 0.90 CLPP (0.44) CLPPLMNAHTTSMN1; SMN2CYP3A4
SCHEMBL746499 0.90 CLPP (0.47) CLPPLMNAHTTSMN1; SMN2CYP3A4
SCHEMBL12036613 0.90 LMNA (0.46) LMNAHTTSMN1; SMN2CYP3A4KMT2A
SCHEMBL13184738 0.88 LMNA (0.44) LMNAHTTSMN1; SMN2CYP3A4HRH3
SCHEMBL12037723 0.88 LMNA (0.46) CLPPLMNAHTTSMN1; SMN2CYP3A4
SCHEMBL12037545 0.87 LMNA (0.43) LMNAHTTSMN1; SMN2CYP3A4HRH3
SCHEMBL13184896 0.87 LMNA (0.44) CLPPLMNAHTTSMN1; SMN2CYP3A4

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-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Chongwae Pharma Corporation (KR) 2010-02-04 — — 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-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CLPP 4096/4885LMNA 2967/4885HTT 622/4885

“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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