SCHEMBL3635103

SCHEMBL3635103

CCC(=O)N(c1ccccc1)C1CCN(C(=O)OC[C@H](C)N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.57
OPRM1 P35372 4/20 0.56
SIGMAR1 Q99720 2/20 0.56
SLC22A1 O15245 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB1 P08183 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
MAOA P21397 1/20 0.54
DRD4 P21917 1/20 0.54
MAOB P27338 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54
ADRA1B P35368 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54
CHRNA4 P43681 1/20 0.54

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
SCHEMBL3635106 1.00 OPRD1 (0.57) OPRD1OPRM1SIGMAR1SLC22A1NR1I2
SCHEMBL3639021 0.88 CHRM2 (0.54) OPRD1OPRM1CHRM3ADRA1AADRA1B
SCHEMBL3741708 0.88 CHRM2 (0.54) OPRD1OPRM1CHRM3ADRA1AADRA1B
SCHEMBL3753003 0.88 OPRD1 (0.43) OPRD1OPRM1SIGMAR1SLC22A1NR1I2
SCHEMBL3753010 0.88 OPRD1 (0.43) OPRD1OPRM1SIGMAR1SLC22A1NR1I2
SCHEMBL3671615 0.87 OPRD1 (0.43) OPRD1OPRM1SIGMAR1SLC22A1NR1I2
SCHEMBL3671617 0.87 OPRD1 (0.43) OPRD1OPRM1SIGMAR1SLC22A1NR1I2
SCHEMBL3636867 0.86 SMN1; SMN2 (0.43) OPRD1OPRM1
SCHEMBL3636119 0.86 SMN1; SMN2 (0.43) OPRD1OPRM1
SCHEMBL3668819 0.86 SMN1; SMN2 (0.45) OPRD1OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 OPRD1 3602/4885OPRM1 4585/4885SIGMAR1 3896/4885

“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.