SCHEMBL3748073

SCHEMBL3748073

O=C(OC[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)N1CCC(n2c(=O)n(Cc3ccccc3)c3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 0.50
▸ CYP2D6 P10635 10/20 0.50
▸ C5AR1 P21730 3/20 0.48
▸ CACNA1G O43497 2/20 0.45
▸ CACNA1H O95180 2/20 0.45

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
SCHEMBL3748076 1.00 CYP3A4 (0.50) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL3673905 1.00 CYP3A4 (0.50) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL3748046 0.88 C5AR1 (0.52) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL1834216 0.88 CYP3A4 (0.45) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL3639898 0.88 C5AR1 (0.52) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL1834213 0.88 CYP3A4 (0.45) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL3744564 0.85 CACNA1G (0.41) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL3749278 0.85 CACNA1G (0.41) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL3749275 0.85 CACNA1G (0.41) CYP3A4CYP2D6C5AR1CACNA1GCACNA1H
SCHEMBL3745839 0.84 SMN1; SMN2 (0.38) CYP3A4CYP2D6CACNA1GCACNA1H

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 CYP3A4 694/4885CYP2D6 873/4885C5AR1 2978/4885

“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.

Send feedback