SCHEMBL21438985

SCHEMBL21438985

CC(C)C1(C(=O)O)CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 0.44
MAOA P21397 14/20 0.44
MAOB P27338 14/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM1 P11229 1/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4558684 0.76 KDM1A (0.42) KDM1AMAOAMAOB
SCHEMBL13556691 0.72 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL14045495 0.72 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL15766923 0.72 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL15541000 0.72 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL3530324 0.72 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL11519546 0.71 KDM1A (0.44) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL16880856 0.71 KDM1A (0.37) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL28885401 0.71 KDM1A (0.41) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL5435422 0.71 MAPK1 (0.50) KDM1AMAOAMAOBMAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112867705-B Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2024-08-20 CN disclosed
EP-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 EP disclosed
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-06-03 US disclosed
CN-112867705-A Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2021-05-28 CN disclosed
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-05-20 US disclosed
EP-3774722-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO Epiodyne, Inc. (US) 2021-02-17 EP disclosed
WO-2019195634-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. (US) 2019-10-10 WO 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-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 KDM1A 2305/4885MAOA 1124/4885MAOB 774/4885
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 KDM1A 2140/4885MAOA 1168/4885MAOB 895/4885

“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.