SCHEMBL3666414

SCHEMBL3666414

O=C(OCC1CCN(Cc2ccccc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.72
OPRK1 P41145 1/20 0.72
OPRL1 P41146 1/20 0.72
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
CHRM5 P08912 1/20 0.62
CHRM1 P11229 1/20 0.62
CHRM3 P20309 1/20 0.62
CYP3A4 P08684 1/20 0.61
DRD4 P21917 1/20 0.56
AKT1 P31749 1/20 0.56
AKT2 P31751 1/20 0.56
AKT3 Q9Y243 1/20 0.56

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
SCHEMBL3636230 0.91 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL12204965 0.85 OPRM1 (0.63) OPRM1OPRK1OPRL1CHRM2CHRM4
Oxalic Acid SCHEMBL5778025 0.85 OPRM1 (0.91) OPRM1OPRK1OPRL1CYP3A4DRD4
SCHEMBL3665096 0.85 OPRM1 (1.00) OPRM1OPRK1OPRL1CHRM1CYP3A4
SCHEMBL3635261 0.84 CHRM1 (0.72) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL3751747 0.83 CHRM2 (0.60) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL3751742 0.83 CHRM2 (0.60) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL3741111 0.83 CHRM2 (0.59) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL3630723 0.81 OPRM1 (0.66) OPRM1OPRK1OPRL1CHRM2CHRM4
SCHEMBL3634015 0.81 OPRM1 (0.83) OPRM1OPRK1OPRL1CHRM1DRD4

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 6 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 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
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 OPRM1 4585/4885OPRK1 4261/4885OPRL1 4337/4885

“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.