SCHEMBL14629510

SCHEMBL14629510

Bc1cccc(CN2C[C@H]3N(C(=O)CN(C)N3C(=O)NCc3ccccc3)[C@@H](C)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 6/20 0.42
▸ CACNA1H O95180 6/20 0.42
▸ CACNA1I Q9P0X4 6/20 0.42
▸ CLPP Q16740 4/20 0.40
▸ CYP3A4 P08684 9/20 0.40
▸ TCF4 P15884 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ CREBBP Q92793 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
SCHEMBL12037724 0.90 CLPP (0.52) CLPPCYP3A4TCF4CTNNB1CREBBP
SCHEMBL12037883 0.90 CLPP (0.39) CACNA1GCACNA1HCACNA1ICLPPCYP3A4
SCHEMBL12037722 0.89 CLPP (0.46) CLPPCYP3A4
SCHEMBL14619993 0.89 CLPP (0.44) CLPPCYP3A4TCF4CTNNB1CREBBP
SCHEMBL12037884 0.88 CLPP (0.45) CLPPCYP3A4TCF4CTNNB1CREBBP
SCHEMBL12037712 0.88 CLPP (0.55) CLPPCYP3A4TCF4CTNNB1CREBBP
SCHEMBL12037881 0.87 CLPP (0.44) CLPPCYP3A4
SCHEMBL12037888 0.87 CLPP (0.56) CLPP
SCHEMBL12037880 0.86 CLPP (0.56) CLPPCYP3A4
SCHEMBL14629403 0.86 CLPP (0.48) CLPPCYP3A4TCF4CTNNB1CREBBP

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-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 — — 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-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CACNA1G 4620/4885CACNA1H 4542/4885CACNA1I 4791/4885

“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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