SCHEMBL21447427

SCHEMBL21447427

CNC(=O)c1ccc(C[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)N(C)C)cc1F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.60
▸ OPRM1 P35372 2/20 0.54
▸ HPGD P15428 2/20 0.48
▸ EPHX2 P34913 2/20 0.46
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ OPRK1 P41145 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ PPARG P37231 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL21447413 0.87 OPRD1 (0.47) OPRD1OPRM1HPGDEPHX2HDAC4
SCHEMBL21447367 0.85 OPRD1 (0.64) OPRD1OPRM1HPGDOPRK1ALDH1A1
SCHEMBL21447366 0.85 OPRD1 (0.64) OPRD1OPRM1HPGDOPRK1ALDH1A1
SCHEMBL30980868 0.85 OPRD1 (0.64) OPRD1OPRM1HPGDOPRK1ALDH1A1
SCHEMBL23357256 0.82 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL21447283 0.82 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL21447469 0.82 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL21447418 0.82 OPRD1 (0.59) OPRD1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL21447227 0.81 OPRK1 (0.61) OPRD1OPRM1HPGDEPHX2HDAC4
SCHEMBL23357231 0.81 OPRK1 (0.61) OPRD1OPRM1HPGDEPHX2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352316-B2 Opioid receptor modulators and products and methods related thereto EPIODYNE, INC. (US) 2022-06-07 — — US disclosed
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-06-03 — — US disclosed
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-05-20 — — US 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 (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-11352316-B2 Opioid receptor modulators and products and methods related thereto OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885HPGD 2399/4885
US-20210163402-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885HPGD 2399/4885
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 OPRD1 2/4885OPRM1 1/4885HPGD 2433/4885

“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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