SCHEMBL18550652

SCHEMBL18550652

Cc1nc(C)c(-c2csc(Nc3cc(Br)ccc3C)n2)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.72
TRPV4 Q9HBA0 4/20 0.70
TUBB4A P04350 1/20 0.70
TUBB P07437 1/20 0.70
TUBA3C P0DPH7 1/20 0.70
TUBA1B P68363 1/20 0.70
TUBA4A P68366 1/20 0.70
TUBB4B P68371 1/20 0.70
TUBB3 Q13509 1/20 0.70
TUBB2A Q13885 1/20 0.70
TUBB8 Q3ZCM7 1/20 0.70
TUBA3E Q6PEY2 1/20 0.70
TUBA1A Q71U36 1/20 0.70
TUBA1C Q9BQE3 1/20 0.70
TUBB6 Q9BUF5 1/20 0.70
TUBB2B Q9BVA1 1/20 0.70
TUBB1 Q9H4B7 1/20 0.70
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
NPC1 O15118 4/20 0.58

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
SCHEMBL18550680 0.90 OPRM1 (0.78) OPRM1TRPV4TUBB4ATUBBTUBA3C
SCHEMBL18550702 0.88 OPRM1 (0.81) OPRM1TRPV4TUBB4ATUBBTUBA3C
SCHEMBL6114308 0.86 MEN1 (0.78) OPRM1TRPV4TUBB4ATUBBTUBA3C
SCHEMBL18550688 0.85 MEN1 (0.67) OPRM1TRPV4MEN1KMT2ANPC1
SCHEMBL18550669 0.85 MEN1 (0.70) OPRM1TRPV4TUBB4ATUBBTUBA3C
SCHEMBL18550666 0.84 OPRM1 (1.00) OPRM1TRPV4TUBB4ATUBBTUBA3C
SCHEMBL18550636 0.83 OPRM1 (0.83) OPRM1TRPV4MEN1KMT2ANPC1
SCHEMBL18550672 0.83 OPRM1 (1.00) OPRM1TRPV4TUBB4ATUBBTUBA3C
SCHEMBL8737943 0.81 OPRM1 (0.60) OPRM1TRPV4MEN1KMT2ANPC1
SCHEMBL18550682 0.80 OPRM1 (1.00) OPRM1TRPV4TUBB4ATUBBTUBA3C

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
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 OPRM1 1/4885TRPV4 202/4885TUBB4A 3138/4885

“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.