SCHEMBL4139872

SCHEMBL4139872

O=C(O)c1ccc2c([C@@H]3CCCC[C@H]3F)c3n(c2c1)CCN(CCN1CCOCC1)Cc1cc(OCC2CC2)ccc1-3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
PRKDC P78527 1/20 0.36
PRMT5 O14744 4/20 0.34
WDR77 Q9BQA1 4/20 0.34
NTRK1 P04629 4/20 0.34
KDR P35968 3/20 0.34
LCK P06239 2/20 0.34
SRC P12931 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
ALK Q9UM73 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 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
SCHEMBL4139869 1.00 OPRM1 (0.36) OPRM1OPRD1OPRK1PRKDCPRMT5
SCHEMBL4139777 0.95 CPT2 (0.34) OPRM1OPRD1OPRK1PRMT5WDR77
SCHEMBL4139776 0.95 CPT2 (0.34) OPRM1OPRD1OPRK1PRMT5WDR77
SCHEMBL4143069 0.92 MTNR1A (0.37) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4143066 0.92 MTNR1A (0.37) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4153607 0.91 MAPT (0.39) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4153609 0.91 MAPT (0.39) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4139156 0.91 CNR2 (0.39) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4139150 0.91 CNR2 (0.39) OPRM1OPRD1OPRK1CNR1CNR2
SCHEMBL4155304 0.90 PRKCA (0.37) PRMT5WDR77NR1H4CPT2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US claimed

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 OPRM1 411/4885OPRD1 23/4885OPRK1 121/4885

“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.