SCHEMBL14309906

SCHEMBL14309906

C=CCN(C(=O)NCc1ccccc1)N1CC(=O)N2[C@@H](c3ccccc3)C(=O)N(Cc3ccccn3)C[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1I Q9P0X4 2/20 0.39
▸ CYP3A4 P08684 10/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CLPP Q16740 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL13774188 0.89 CLPP (0.43) CYP3A4CLPP
SCHEMBL14308231 0.89 ELANE (0.39) CACNA1GCACNA1HCACNA1ICYP3A4
SCHEMBL14309902 0.89 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL14310139 0.88 CLPP (0.39) CYP3A4CLPP
SCHEMBL13773928 0.87 CYP3A4 (0.37) CYP3A4CLPP
SCHEMBL14309923 0.87 CYP3A4 (0.36) CYP3A4CLPP
SCHEMBL14503933 0.87 CTNNB1 (0.40) CYP3A4CLPP
SCHEMBL14309921 0.87 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL14504294 0.86 CYP3A4 (0.35) CYP3A4CLPP
SCHEMBL14309909 0.86 CYP3A4 (0.47) CYP3A4CLPP

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
EP-1957516-B1 ALFA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORP (KR) 2016-03-09 — — EP disclosed
US-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders INSTITUTE FOR CHEMICAL GENOMICS 2008-01-10 — — US disclosed
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells INSTITUTE FOR CHEMICAL GENOMICS 2007-06-07 — — 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-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders COL1A1, COL2A1, PLOD3 CACNA1G 4840/4885CACNA1H 4719/4885CACNA1I 4868/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO CACNA1G 4680/4885CACNA1H 4289/4885CACNA1I 4831/4885

“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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