SCHEMBL25152141

SCHEMBL25152141

CNC(=O)c1ccc(C[C@@H](CN)N(C)C)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.58
▸ OPRM1 P35372 3/20 0.58
▸ HSP90AA1 P07900 1/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.37
▸ MET P08581 1/20 0.36
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35

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
SCHEMBL23357298 0.85 OPRD1 (0.58) OPRD1OPRM1OPRK1NR1H4MET
SCHEMBL23357299 0.85 OPRD1 (0.58) OPRD1OPRM1OPRK1NR1H4MET
SCHEMBL21447326 0.76 OPRK1 (0.51) OPRD1OPRM1HSP90AA1OPRK1KDM4E
SCHEMBL21447324 0.76 OPRK1 (0.51) OPRD1OPRM1HSP90AA1OPRK1KDM4E
SCHEMBL29162609 0.76 OPRD1 (0.83) OPRD1OPRM1OPRK1
SCHEMBL30980868 0.76 OPRD1 (0.64) OPRD1OPRM1OPRK1KDM4EMAPT
SCHEMBL21447366 0.76 OPRD1 (0.64) OPRD1OPRM1OPRK1KDM4EMAPT
SCHEMBL21447367 0.76 OPRD1 (0.64) OPRD1OPRM1OPRK1KDM4EMAPT
SCHEMBL25152785 0.75 OPRD1 (0.41) OPRD1OPRM1HSP90AA1OPRK1SMN1; SMN2
SCHEMBL23356897 0.74 OPRK1 (0.48) OPRD1OPRM1HSP90AA1OPRK1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 — — US disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 — — US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 — — US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 — — US disclosed
US-20220356157-A1 OPIOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 — — 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 (4 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-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 OPRD1 4/4885OPRM1 1/4885HSP90AA1 2024/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 OPRD1 4/4885OPRM1 1/4885HSP90AA1 2024/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 OPRD1 4/4885OPRM1 1/4885HSP90AA1 2024/4885
US-20220356157-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 OPRD1 4/4885OPRM1 1/4885HSP90AA1 2024/4885

“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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