SCHEMBL3671617

SCHEMBL3671617

CC(COC(=O)N1CCC(N(C(=O)C(C)(C)C)c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
OPRM1 P35372 3/20 0.42
SIGMAR1 Q99720 2/20 0.41
HSD11B1 P28845 1/20 0.40
CHRM3 P20309 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
SLC22A1 O15245 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB1 P08183 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
DRD4 P21917 1/20 0.39
MAOB P27338 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL3671615 1.00 OPRD1 (0.43) OPRD1MEN1KMT2AOPRM1SIGMAR1
SCHEMBL3741708 0.87 CHRM2 (0.54) OPRD1MEN1KMT2AOPRM1CHRM3
SCHEMBL3635103 0.87 OPRD1 (0.57) OPRD1OPRM1SIGMAR1CHRM3SLC22A1
SCHEMBL3635106 0.87 OPRD1 (0.57) OPRD1OPRM1SIGMAR1CHRM3SLC22A1
SCHEMBL3639021 0.87 CHRM2 (0.54) OPRD1MEN1KMT2AOPRM1CHRM3
SCHEMBL3636119 0.85 SMN1; SMN2 (0.43) OPRD1MEN1KMT2AOPRM1JAK2
SCHEMBL3636867 0.85 SMN1; SMN2 (0.43) OPRD1MEN1KMT2AOPRM1JAK2
SCHEMBL3753003 0.85 OPRD1 (0.43) OPRD1MEN1KMT2AOPRM1SIGMAR1
SCHEMBL3668819 0.85 SMN1; SMN2 (0.45) OPRD1OPRM1KCNH2SMN1; SMN2
SCHEMBL3753010 0.85 OPRD1 (0.43) OPRD1MEN1KMT2AOPRM1SIGMAR1

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 4 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
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

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 3602/4885MEN1 2707/4885KMT2A 4004/4885

“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.