SCHEMBL3748470

SCHEMBL3748470

C[C@@H](COC(=O)N1CCC(n2c(=O)n(CC3CCCCC3)c3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 12/20 0.48
▸ OPRM1 P35372 8/20 0.48
▸ OPRK1 P41145 3/20 0.48
▸ ENPP2 Q13822 1/20 0.44
▸ CACNA1G O43497 2/20 0.43
▸ CACNA1H O95180 2/20 0.43
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ C5AR1 P21730 1/20 0.40
▸ OPRD1 P41143 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL3748474 1.00 OPRL1 (0.48) OPRL1OPRM1OPRK1ENPP2CACNA1G
SCHEMBL3748046 0.89 C5AR1 (0.52) CACNA1GCACNA1HCYP3A4CYP2D6C5AR1
SCHEMBL3639898 0.89 C5AR1 (0.52) CACNA1GCACNA1HCYP3A4CYP2D6C5AR1
SCHEMBL13980437 0.85 CYP3A4 (0.47) OPRL1OPRM1CACNA1GCACNA1HCYP3A4
SCHEMBL3637418 0.85 CYP3A4 (0.47) OPRL1OPRM1CACNA1GCACNA1HCYP3A4
SCHEMBL3741812 0.85 CACNA1G (0.53) OPRL1OPRM1CACNA1GCACNA1HCYP3A4
SCHEMBL3669342 0.85 CACNA1G (0.53) OPRL1OPRM1CACNA1GCACNA1HCYP3A4
SCHEMBL13985802 0.84 OPRL1 (0.48) OPRL1OPRM1OPRK1ENPP2CACNA1G
SCHEMBL3758795 0.84 CHRM2 (0.40) CACNA1GCACNA1HCYP3A4CYP2D6C5AR1
SCHEMBL3749221 0.84 CHRM2 (0.40) CACNA1GCACNA1HCYP3A4CYP2D6C5AR1

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

“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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