Ergocristine

Ergocristine

SCHEMBL14029486

CC(C)C1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 11/20 1.00
MAPT P10636 10/20 1.00
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
CYP2C19 P33261 9/20 1.00
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 6/20 1.00
ABCB1 P08183 6/20 1.00
HIF1A Q16665 5/20 1.00
HPGD P15428 5/20 1.00
HSD17B10 Q99714 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
THRB P10828 2/20 1.00
CYP3A4 P08684 10/20 0.86
USP2 O75604 5/20 0.86
ADRA2A P08913 5/20 0.86
DRD2 P14416 5/20 0.86
ADRA2B P18089 5/20 0.86
ADRA2C P18825 5/20 0.86
DRD1 P21728 5/20 0.86

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
Ergocristine SCHEMBL4947691 1.00 CYP2C9 (1.00) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocristine SCHEMBL30957132 1.00 CYP2C9 (1.00) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocristine SCHEMBL455906 1.00 CYP2C9 (1.00) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocristine SCHEMBL177877 1.00 CYP2C9 (1.00) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocristine SCHEMBL20136277 0.98 CYP2C9 (0.96) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocristine SCHEMBL11081603 0.98 CYP2C9 (0.96) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocristine SCHEMBL18208064 0.98 CYP2C9 (0.96) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocristine SCHEMBL29386896 0.94 MAPT (0.89) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocryptine SCHEMBL78951 0.92 KDM4E (1.00) CYP2C9MAPTMEN1KMT2ACYP2C19
Ergocryptine SCHEMBL11034170 0.92 KDM4E (1.00) CYP2C9MAPTMEN1KMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267948-A1 Croos-B Structure Binding Compounds CROSSBETA BIOSCIENCES B.V. (NL) 2008-10-30 US disclosed
US-20080267948-A1 Croos-B Structure Binding Compounds CROSSBETA BIOSCIENCES B.V. (NL) 2008-10-30 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-20080267948-A1 Croos-B Structure Binding Compounds CACYBP, TBCB, MYCBP CYP2C9 4497/4885MAPT 2206/4885MEN1 4546/4885

“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.