SCHEMBL3741708

SCHEMBL3741708

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.54
CHRM3 P20309 9/20 0.54
OPRD1 P41143 4/20 0.53
OPRM1 P35372 3/20 0.53
OPRK1 P41145 3/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP2D6 P10635 2/20 0.48

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
SCHEMBL3639021 1.00 CHRM2 (0.54) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL3635103 0.88 OPRD1 (0.57) CHRM3OPRD1OPRM1OPRK1ADRA1A
SCHEMBL3635106 0.88 OPRD1 (0.57) CHRM3OPRD1OPRM1OPRK1ADRA1A
SCHEMBL3671615 0.87 OPRD1 (0.43) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL3671617 0.87 OPRD1 (0.43) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL3636119 0.86 SMN1; SMN2 (0.43) OPRD1OPRM1MEN1KMT2A
SCHEMBL3636867 0.86 SMN1; SMN2 (0.43) OPRD1OPRM1MEN1KMT2A
SCHEMBL3668819 0.86 SMN1; SMN2 (0.45) OPRD1OPRM1
SCHEMBL3753003 0.86 OPRD1 (0.43) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL3753010 0.86 OPRD1 (0.43) CHRM2CHRM3OPRD1OPRM1OPRK1

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 3 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-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 CHRM2 4450/4885CHRM3 3427/4885OPRD1 3602/4885

“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.