SCHEMBL2197339

SCHEMBL2197339

OCc1cccc(CCCC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
OPRM1 P35372 9/20 0.44
OPRD1 P41143 9/20 0.44
OPRK1 P41145 9/20 0.44
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 1/20 0.40
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
CCR5 P51681 1/20 0.40
ENPP2 Q13822 1/20 0.40

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
SCHEMBL4681557 0.81 OPRM1 (0.42) OPRM1OPRD1OPRK1ENPP2
SCHEMBL6897427 0.81 SLC6A3 (0.53)
SCHEMBL18976829 0.81 NPC1 (0.51) SLC18A3SIGMAR1BCHE
SCHEMBL7419921 0.79 SLC18A3 (0.60) SLC18A3OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL2440428 0.79 SLC18A3 (0.60) SLC18A3OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL9133642 0.79 SLC18A3 (0.60) SLC18A3OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL2197741 0.79 PPM1D (0.53) SLC18A3SIGMAR1CCR5
SCHEMBL23642788 0.79 SLC18A3 (0.40) SLC18A3OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL17565146 0.79 SLC6A3 (0.54) SLC18A3
SCHEMBL612124 0.77 SIGMAR1 (0.46) OPRM1OPRD1OPRK1SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP 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 (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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R SLC18A3 1087/4885OPRM1 495/4885OPRD1 1118/4885

“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.