SCHEMBL2199105

SCHEMBL2199105

O=Cc1cccc(CCCC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
SLC18A3 Q16572 1/20 0.40
CEL P19835 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
BCHE P06276 1/20 0.38
CCR5 P51681 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL9949704 0.91 DAO (0.41) SIGMAR1CELOPRM1OPRD1OPRK1
SCHEMBL9950489 0.81 MAOA (0.41) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL9949988 0.81 CEL (0.43) SIGMAR1SLC18A3CELCCR5GPR84
SCHEMBL24512658 0.78 MAOA (0.42) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL22125238 0.78 MAOA (0.37) OPRK1MAOAMAOB
SCHEMBL18976829 0.77 NPC1 (0.51) SIGMAR1SLC18A3BCHE
SCHEMBL6897427 0.77 SLC6A3 (0.53) MAOAMAOB
SCHEMBL2197339 0.77 SLC18A3 (0.46) SIGMAR1SLC18A3OPRM1OPRD1OPRK1
SCHEMBL9949875 0.77 DRD2 (0.38) BCHEMAOAMAOB
SCHEMBL9949517 0.77 DRD2 (0.40) BCHEMAOAMAOB

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 SIGMAR1 1928/4885SLC18A3 1087/4885CEL 162/4885

“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.