SCHEMBL3744564

SCHEMBL3744564

CC(C)(C)OC(=O)NCCn1c(=O)n(C2CCN(C(=O)OC[C@H](Cc3ccccc3)N(Cc3ccccc3)Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ OPRM1 P35372 5/20 0.38
▸ OPRL1 P41146 3/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OGFRL1 Q5TC84 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ C5AR1 P21730 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL3749275 1.00 CACNA1G (0.41) CACNA1GCACNA1HOPRM1OPRL1OPRD1
SCHEMBL3749278 1.00 CACNA1G (0.41) CACNA1GCACNA1HOPRM1OPRL1OPRD1
SCHEMBL3639554 0.91 CACNA1G (0.42) CACNA1GCACNA1HOPRM1OPRL1OPRD1
SCHEMBL3751856 0.91 CACNA1G (0.42) CACNA1GCACNA1HOPRM1OPRL1OPRD1
SCHEMBL3673905 0.85 CYP3A4 (0.50) CACNA1GCACNA1HCYP3A4CYP2D6C5AR1
SCHEMBL3748073 0.85 CYP3A4 (0.50) CACNA1GCACNA1HCYP3A4CYP2D6C5AR1
SCHEMBL3748076 0.85 CYP3A4 (0.50) CACNA1GCACNA1HCYP3A4CYP2D6C5AR1
SCHEMBL13980393 0.85 CACNA1G (0.44) CACNA1GCACNA1HOPRM1OPRL1OPRD1
SCHEMBL1834213 0.83 CYP3A4 (0.45) CACNA1GCACNA1HOPRM1OPRL1CYP3A4
SCHEMBL1834216 0.83 CYP3A4 (0.45) CACNA1GCACNA1HOPRM1OPRL1CYP3A4

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 7 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
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
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
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 CACNA1G 3265/4885CACNA1H 3713/4885OPRM1 4585/4885

“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.

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