Dauricine

Dauricine

SCHEMBL677474

COc1cc2c(cc1OC)C(Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)ccc3O)cc1)N(C)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 1.00
BCHE P06276 1/20 0.74
ACHE P22303 1/20 0.74
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
HSD17B10 Q99714 2/20 0.74
ALOX15 P16050 1/20 0.74
LMNA P02545 2/20 0.71
MAPK1 P28482 1/20 0.71
CYP2D6 P10635 1/20 0.71
DRD2 P14416 2/20 0.71
DRD1 P21728 1/20 0.71
DRD4 P21917 1/20 0.63

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
Dauricine SCHEMBL22089144 1.00 KCNH2 (1.00) KCNH2BCHEACHEKDM4EALDH1A1
Dauricine SCHEMBL29494083 1.00 KCNH2 (1.00) KCNH2BCHEACHEKDM4EALDH1A1
Dauricine SCHEMBL28689430 1.00 KCNH2 (1.00) KCNH2BCHEACHEKDM4EALDH1A1
Dauricine SCHEMBL29494084 1.00 KCNH2 (1.00) KCNH2BCHEACHEKDM4EALDH1A1
Dauricine SCHEMBL2233953 1.00 KCNH2 (1.00) KCNH2BCHEACHEKDM4EALDH1A1
Daruisoline SCHEMBL24212114 0.97 KCNH2 (1.00) KCNH2BCHEACHEKDM4EALDH1A1
Daruisoline SCHEMBL31192245 0.97 KCNH2 (1.00) KCNH2BCHEACHEKDM4EALDH1A1
SCHEMBL29411700 0.97 KCNH2 (0.96) KCNH2BCHEACHEKDM4EALDH1A1
SCHEMBL21125616 0.95 KCNH2 (0.90) KCNH2BCHEACHEKDM4EALDH1A1
SCHEMBL28672292 0.95 KCNH2 (0.90) KCNH2BCHEACHEKDM4EALDH1A1

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
US-20130023487-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION INTERNATIONAL PATENT HOLDINGS LLC (KN) 2013-01-24 US disclosed
US-8067401-B2 Compounds and compositions for treating infection INTERNATIONAL PATENT HOLDINGS LLC (KN) 2011-11-29 US disclosed
US-20090069277-A1 Compounds and compositions for treating infection INTERNATIONAL PATENT HOLDINGS LTD. 2009-03-12 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-20130023487-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING INFECTION RPN2, LSS, CLIC4 KCNH2 984/4885BCHE 985/4885ACHE 1234/4885
US-20090069277-A1 Compounds and compositions for treating infection RPN2, LSS, CLIC4 KCNH2 984/4885BCHE 985/4885ACHE 1234/4885

“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.