Apocideine

Apocideine

SCHEMBL1349371

COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(C)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 1.00
CYP1A2 P05177 3/20 1.00
CYP3A4 P08684 3/20 1.00
CYP2C19 P33261 3/20 1.00
CYP2D6 P10635 2/20 1.00
HIF1A Q16665 2/20 1.00
ALDH1A1 P00352 7/20 0.98
KDM4E B2RXH2 6/20 0.98
MAPT P10636 6/20 0.98
HPGD P15428 6/20 0.98
GLA P06280 2/20 0.98
PMP22 Q01453 2/20 0.98
RAD52 P43351 2/20 0.98
DRD2 P14416 7/20 0.77
PKM P14618 4/20 0.74
MAPK1 P28482 4/20 0.74
LMNA P02545 4/20 0.74
TP53 P04637 3/20 0.74
KMT2A Q03164 3/20 0.74
CYP2C9 P11712 3/20 0.74

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
Apocideine SCHEMBL154292 1.00 HSD17B10 (1.00) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
Apocideine SCHEMBL29726722 1.00 HSD17B10 (1.00) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
Apocideine SCHEMBL7914642 0.99 ALDH1A1 (1.00) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL25468978 0.88 HSD17B10 (0.78) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21040947 0.88 HSD17B10 (0.78) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5313458 0.87 DRD2 (1.00) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL14494966 0.87 DRD2 (1.00) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29726679 0.87 DRD2 (1.00) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL20996579 0.86 HSD17B10 (0.75) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL20996588 0.86 HSD17B10 (0.75) HSD17B10CYP1A2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110585165-B Abuse resistant capsules R·P·谢勒技术有限公司 2022-08-12 CN claimed
WO-2023085420-A1 FERROPTOSIS INHIBITOR AND USE THEREFOR 学校法人自治医科大学 2023-05-19 WO disclosed
US-20230141988-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES ACLIPSE ONE INC. 2023-05-11 US disclosed
US-20230141988-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES ACLIPSE ONE INC. 2023-05-11 US disclosed
CN-110585165-B Abuse resistant capsules R·P·谢勒技术有限公司 2022-08-12 CN disclosed
US-8063060-B2 R(−)-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2011-11-22 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-20100081651-A1 R(-)-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2010-04-01 US disclosed
US-7648995-B2 R(—)-11-hydroxyaporphine derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2010-01-19 US disclosed
US-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof MCLEAN HOSPITAL CORPORATION, THE 2006-02-23 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 (3 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-20060040900-A1 R(-)-11-hydroxyaporphine derivatives and uses thereof SNCA, HTR5A, PARK7 HSD17B10 191/4885CYP1A2 224/4885CYP3A4 537/4885
US-20100081651-A1 R(-)-11-HYDROXYAPORPHINE DERIVATIVES AND USES THEREOF SNCA, HTR5A, HTR3A HSD17B10 197/4885CYP1A2 241/4885CYP3A4 572/4885
US-20230141988-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES PARK7, SNCA, ATXN10 HSD17B10 606/4885CYP1A2 411/4885CYP3A4 788/4885

“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.