SCHEMBL9918290

SCHEMBL9918290

CCC(c1cccc(O)c1)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.66
SLC22A1 O15245 1/20 0.66
ADRA1A P35348 3/20 0.55
ADRB1 P08588 2/20 0.55
MIF P14174 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2B P41595 1/20 0.55
LMNA P02545 5/20 0.49
HIF1A Q16665 4/20 0.49
GALR3 O60755 1/20 0.49
DRD1 P21728 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRB3 P13945 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL9918287 1.00 OPRM1 (0.66) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL5014485 0.90 OPRM1 (0.67) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL5177521 0.90 OPRM1 (0.67) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL15471672 0.87 OPRM1 (0.73) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL16871402 0.87 OPRM1 (0.73) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL13082446 0.85 ADRB1 (0.55) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL12967704 0.83 ADRB1 (0.53) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL725882 0.82 OPRM1 (0.68) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL18371747 0.82 OPRM1 (0.59) OPRM1SLC22A1ADRA1AADRB1MIF
SCHEMBL15471651 0.82 OPRM1 (0.68) OPRM1SLC22A1ADRA1AADRB1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 US disclosed
EP-2519100-B1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LTD (IL) 2017-03-15 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (3 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-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP OPRM1 4515/4885SLC22A1 3632/4885ADRA1A 4459/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 OPRM1 4238/4885SLC22A1 3944/4885ADRA1A 4637/4885
US-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 OPRM1 1/4885SLC22A1 1690/4885ADRA1A 117/4885

“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.