SCHEMBL2604438

SCHEMBL2604438

C/C=C1\C(=O)N(C2CCN(B(C)O)CC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 4/20 0.34
OPRK1 P41145 4/20 0.34
OPRL1 P41146 4/20 0.34
TRPA1 O75762 3/20 0.34
NPC1 O15118 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 2/20 0.33
OPRD1 P41143 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL2604439 0.78 DRD2 (0.43) DRD2SLC6A4TRPA1NPC1MTOR
SCHEMBL1855820 0.78 OPRL1 (0.49) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL1855822 0.78 OPRL1 (0.49) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL1861204 0.77 OPRM1 (0.55) DRD2SLC6A4L3MBTL1OPRM1OPRK1
SCHEMBL1861203 0.77 OPRM1 (0.55) DRD2SLC6A4L3MBTL1OPRM1OPRK1
SCHEMBL2606276 0.76 L3MBTL1 (0.49) DRD2SLC6A4L3MBTL1KDM4E
SCHEMBL1859919 0.75 OPRL1 (0.57) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL1859918 0.75 OPRL1 (0.57) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL1855206 0.74 OPRL1 (0.60) DRD2SLC6A4OPRM1OPRK1OPRL1
SCHEMBL1855204 0.74 OPRL1 (0.60) DRD2SLC6A4OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US disclosed
US-7495109-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2009-02-24 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 (2 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-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 DRD2 401/4885SLC6A4 475/4885L3MBTL1 1259/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 DRD2 401/4885SLC6A4 475/4885L3MBTL1 1259/4885

“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.