SCHEMBL2633138

SCHEMBL2633138

CCCCOCCC(C#N)c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
AOC3 Q16853 1/20 0.35
SLC7A5 Q01650 1/20 0.34
KMT2A Q03164 1/20 0.34
DUT P33316 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SLC6A4 P31645 1/20 0.32

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
SCHEMBL2633190 0.83 TSHR (0.39) KMT2AMAPT
SCHEMBL2628022 0.79 CNR2 (0.39) IDO1TDO2
SCHEMBL2633216 0.77 SLC7A5 (0.40) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL29061977 0.77 AOC3 (0.40) AOC3KMT2AMAPTIDO1TDO2
SCHEMBL954467 0.77 AOC3 (0.40) AOC3KMT2AMAPTIDO1TDO2
SCHEMBL16854730 0.72 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1AOC3
SCHEMBL10370985 0.71 CNR2 (0.43) OPRM1OPRL1KMT2AMAPTIDO1
SCHEMBL28748834 0.70 SLC6A2 (0.41) AOC3SLC7A5KMT2AIDO1TDO2
SCHEMBL28782703 0.69 MAOB (0.44) GAAMAPTSLC6A4
SCHEMBL11994155 0.69 CYP19A1 (0.48) OPRM1OPRD1OPRK1OPRL1AOC3

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-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed
US-20120094983-A1 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-7915410-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20070082909-A1 Acyclic Ikur inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-12 US disclosed
WO-2007030582-A2 ACYCLIC IKUR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-15 WO 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-20070082909-A1 Acyclic Ikur inhibitors KCNH2, KCNJ2, KCNH3 OPRM1 549/4885OPRD1 233/4885OPRK1 102/4885
US-20120094983-A1 ACYCLIC IKUR INHIBITORS KCNH2, KCNJ2, KCNH3 OPRM1 549/4885OPRD1 233/4885OPRK1 102/4885

“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.