SCHEMBL3109359

SCHEMBL3109359

CN1CCN(CC(=O)N(c2ccccc2)C2CCNCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.51
OPRL1 P41146 1/20 0.51
OPRD1 P41143 9/20 0.50
OPRK1 P41145 5/20 0.50
SIGMAR1 Q99720 2/20 0.50
CHRM3 P20309 2/20 0.50
SLC22A1 O15245 1/20 0.50
NR1I2 O75469 1/20 0.50
ABCB1 P08183 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
MAOA P21397 1/20 0.50
DRD4 P21917 1/20 0.50
MAOB P27338 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL3111603 0.89 OPRD1 (0.56) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3119135 0.89 CHRM3 (0.50) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3119758 0.88 MEN1 (0.52) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3114898 0.88 MEN1 (0.52) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3124239 0.85 ALDH1A1 (0.50) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL28095554 0.82 MEN1 (0.59) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3113370 0.81 OPRD1 (0.50) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3112449 0.80 SLC6A3 (0.49) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL3122535 0.79 OPRD1 (0.58) OPRM1OPRD1OPRK1SIGMAR1CHRM3
SCHEMBL926462 0.79 OPRM1 (0.61) OPRM1OPRL1OPRD1OPRK1SIGMAR1

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-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 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-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 OPRM1 158/4885OPRL1 74/4885OPRD1 58/4885

“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.