SCHEMBL1615414

SCHEMBL1615414

CC(C)C1c2ccccc2CN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.42
OPRK1 P41145 2/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
PRCP P42785 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13464973 1.00 OPRM1 (0.42) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL12448267 0.85 SLC6A2 (0.40) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL8011446 0.81 PRCP (0.56) PRCP
SCHEMBL4737669 0.79 PRCP (0.40) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL2706549 0.79 PRCP (0.40) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL20055229 0.77 PRCP (0.43) OPRM1OPRK1PRCPKDM4EMEN1
SCHEMBL18559580 0.74 SLC6A2 (0.46) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL11997024 0.74 SLC6A2 (0.46) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL10278431 0.74 SLC6A2 (0.46) OPRM1OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL11824939 0.73 OPRM1 (0.47) OPRM1OPRK1SLC6A2SLC6A4SLC6A3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 EP disclosed
EP-3592393-B1 RELEASABLE CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2021-12-01 EP disclosed
WO-2019171358-A1 RELEASABLE ANTIBODY CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2019-09-12 WO disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-8168798-B2 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-01 US disclosed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-7842324-B2 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2010-11-30 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith TRANSTECH PHARMA, INC. (US) 2009-02-05 US disclosed
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith TRANSTECH PHARMA, INC. (US) 2009-02-05 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
US-20070003680-A1 Bis-aromatic amides and their uses as sweet flavor modifiers, tastants, and taste enhancers SENOMYX, INC. 2007-01-04 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 (6 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-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith AGER, APP, BACE1 OPRM1 3185/4885OPRK1 2818/4885SLC6A2 1606/4885
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS CASP1, CASP5, CASP2 OPRM1 4059/4885OPRK1 3954/4885SLC6A2 4775/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B OPRM1 3220/4885OPRK1 3141/4885SLC6A2 3456/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B OPRM1 3220/4885OPRK1 3141/4885SLC6A2 3456/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B OPRM1 3220/4885OPRK1 3141/4885SLC6A2 3456/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 OPRM1 857/4885OPRK1 636/4885SLC6A2 1083/4885

“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.