SCHEMBL18550722

SCHEMBL18550722

CCc1ccccc1Nc1nccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
RAB9A P51151 2/20 0.51
OPRM1 P35372 3/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGS1 P23219 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PLA2G7 Q13093 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL7058895 0.81 AURKA (0.61) ALDH1A1TDP1RAB9AKDM4EMEN1
SCHEMBL2036984 0.80 ALDH1A1 (0.59) ALDH1A1TDP1RAB9AKDM4EMEN1
SCHEMBL18550631 0.80 RAB9A (0.63) RAB9AOPRM1CYP1A2
SCHEMBL3635774 0.78 ALOX15 (0.58) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL9851135 0.78 TDP1 (0.59) ALDH1A1TDP1RAB9AKDM4EPLA2G7
SCHEMBL31069449 0.75 ALDH1A1 (0.59) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL11159476 0.75 ALDH1A1 (0.59) ALDH1A1TDP1RAB9AKDM4EMEN1
SCHEMBL899333 0.75 ALDH1A1 (0.59) ALDH1A1TDP1RAB9AKDM4EMEN1
SCHEMBL899473 0.74 ALDH1A1 (0.57) ALDH1A1TDP1RAB9AKDM4EMEN1
SCHEMBL1548694 0.74 ALDH1A1 (0.54) ALDH1A1RAB9AKDM4EPTGS1MEN1

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 14 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
CN-108369222-A Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2018-08-03 CN 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 ALDH1A1 1408/4885TDP1 4694/4885RAB9A 2256/4885

“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.