SCHEMBL18550690

SCHEMBL18550690

Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)O)cc3C)n2)s1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.71
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
GAA P10253 2/20 0.60
XDH P47989 1/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TRPV4 Q9HBA0 1/20 0.57
PIK3CG P48736 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL18550664 0.84 MEN1 (0.80) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL18550682 0.83 OPRM1 (1.00) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL8738331 0.83 OPRM1 (0.59) OPRM1MEN1KMT2AGAAXDH
SCHEMBL6114017 0.83 MEN1 (0.57) OPRM1MEN1KMT2AGAAXDH
SCHEMBL8738761 0.83 MAPT (0.68) OPRM1MEN1KMT2AGAAXDH
SCHEMBL18550680 0.81 OPRM1 (0.78) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL18550643 0.81 OPRM1 (0.78) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL8737943 0.81 OPRM1 (0.60) OPRM1MEN1KMT2AGAAXDH
SCHEMBL18561598 0.81 OPRM1 (0.73) OPRM1MEN1KMT2AGAAKDM4E
SCHEMBL18550711 0.80 OPRM1 (0.74) OPRM1MEN1KMT2AGAAKDM4E

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-108369222-B Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2021-06-04 CN claimed
CN-108369222-B Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2021-06-04 CN disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
EP-3344997-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF Regents of the University of Minnesota (US) 2018-07-11 EP disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
US-9827228-B2 Opioid receptor modulators and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-11-28 US disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 WO disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US disclosed
US-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 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 (1 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-20170056377-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF OPRM1, OPRK1, OPRL1 OPRM1 1/4885MEN1 4870/4885KMT2A 3199/4885

“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.