SCHEMBL18550641

SCHEMBL18550641

CCc1ccccc1Nc1nc(-c2ccc(C)cc2)cs1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
OPRM1 P35372 3/20 0.65
NPC1 O15118 5/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
BLM P54132 1/20 0.54
ALOX5 P09917 3/20 0.53
AMY1A P0DUB6 1/20 0.53
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
CCR4 P51679 2/20 0.51
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL28230725 0.88 RAB9A (0.68) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL28230737 0.86 RAB9A (0.65) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL18550658 0.83 OPRM1 (0.60) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL25959167 0.81 NPC1 (0.60) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL18550646 0.80 GAA (0.62) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL14433249 0.80 CCR4 (0.80) RAB9ANPC1MEN1KMT2AALOX5
SCHEMBL18550644 0.79 RAB9A (0.63) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL18550727 0.79 MEN1 (0.65) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL18550662 0.79 RAB9A (0.66) RAB9AOPRM1NPC1MEN1KMT2A
SCHEMBL18550645 0.79 OPRM1 (1.00) RAB9AOPRM1NPC1MEN1KMT2A

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 12 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 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
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
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 RAB9A 2256/4885OPRM1 1/4885NPC1 2226/4885

“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.