SCHEMBL18550693

SCHEMBL18550693

Cc1cc(Cl)cc(C)c1NC(N)=S

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
CYP1A2 P05177 1/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
KMT2A Q03164 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5462283 0.83 ALDH1A1 (0.50) CYP1A2ALDH1A1LMNARAPGEF4L3MBTL1
SCHEMBL11058857 0.82 ALDH1A1 (0.41) GAAMAPTALDH1A1LMNANOX1
SCHEMBL11918917 0.79 ALDH1A1 (0.56) CYP1A2MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL11878619 0.79 RAPGEF4 (0.41) GAAMAPTALDH1A1LMNANOX1
SCHEMBL18550697 0.79 L3MBTL1 (0.40) GAACYP1A2MAPTALDH1A1LMNA
SCHEMBL6929125 0.79 GAA (0.70) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL4620484 0.78 ALDH1A1 (0.45) GAAMAPTALDH1A1LMNAALOX12
SCHEMBL11919007 0.76 FFAR4 (0.41) CYP1A2MAPTALDH1A1ALOX12KMT2A
SCHEMBL11655477 0.75 CYP1A2 (0.44) GAACYP1A2MAPTALDH1A1LMNA
SCHEMBL2243625 0.75 GAA (0.70) GAAMAPTALDH1A1LMNANOX1

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 GAA 3118/4885CYP1A2 425/4885MAPT 2397/4885

“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.