SCHEMBL18641997

SCHEMBL18641997

O=C(O)NCCN1C(=O)C2C3C=CC(O3)C2C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
ALDH1A1 P00352 12/20 0.47
PKM P14618 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 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
SCHEMBL20791676 0.91 ALDH1A1 (0.45) OPRM1OPRD1OPRK1ALDH1A1PKM
SCHEMBL19138184 0.91 ALDH1A1 (0.45) OPRM1OPRD1OPRK1ALDH1A1PKM
SCHEMBL20791740 0.90 ALDH1A1 (0.44) OPRM1OPRD1OPRK1ALDH1A1PKM
SCHEMBL22100113 0.82 OPRM1 (0.46) OPRM1OPRD1OPRK1ALDH1A1PKM
SCHEMBL18666981 0.79 OPRM1 (0.47) OPRM1OPRD1OPRK1ALDH1A1NPC1
SCHEMBL22863834 0.79 OPRM1 (0.47) OPRM1OPRD1OPRK1ALDH1A1NPC1
SCHEMBL2590178 0.79 MAPK1 (0.61) OPRM1OPRD1OPRK1ALDH1A1PKM
SCHEMBL15043610 0.79 MAPK1 (0.61) OPRM1OPRD1OPRK1ALDH1A1PKM
SCHEMBL17975756 0.78 ALDH1A1 (0.46) OPRM1OPRD1OPRK1ALDH1A1PKM
SCHEMBL17975825 0.77 PKM (0.45) OPRM1OPRD1OPRK1ALDH1A1PKM

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
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US disclosed
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 US disclosed
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 US disclosed
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 US disclosed
US-10836796-B2 Derivatives of amanita toxins and their conjugation to a cell binding molecule HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-11-17 US disclosed
US-10702498-B2 MU opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-07 US disclosed
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2020-04-09 US disclosed
US-20200079820-A1 DERIVATIVES OF AMANITA TOXINS AND THEIR CONJUGATION TO A CELL BINDING MOLECULE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-12 US disclosed
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-03-14 US disclosed
WO-2017046658-A1 DERIVATIVES OF AMANITA TOXINS AND THEIR CONJUGATION TO A CELL BINDING MOLECULE HANGZHOU DAC BIOTECH CO, LTD (CN) 2017-03-23 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 (10 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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA OPRM1 3438/4885OPRD1 4220/4885OPRK1 3109/4885
US-20200079820-A1 DERIVATIVES OF AMANITA TOXINS AND THEIR CONJUGATION TO A CELL BINDING MOLECULE ANTXR2, ANXA5, C3AR1 OPRM1 1839/4885OPRD1 2222/4885OPRK1 2212/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A OPRM1 1922/4885OPRD1 2371/4885OPRK1 1585/4885
US-10836796-B2 Derivatives of amanita toxins and their conjugation to a cell binding molecule ANTXR2, ANXA5, C3AR1 OPRM1 1963/4885OPRD1 2118/4885OPRK1 2136/4885
US-10702498-B2 MU opioid receptor modulators OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 OPRM1 2817/4885OPRD1 3875/4885OPRK1 2812/4885
US-20190076398-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20210052548-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20200109126-A1 MU OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 OPRM1 2877/4885OPRD1 4018/4885OPRK1 4221/4885

“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.