SCHEMBL3637418

SCHEMBL3637418

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
HSD11B1 P28845 2/20 0.46
CACNA1G O43497 2/20 0.43
CACNA1H O95180 2/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
OPRL1 P41146 2/20 0.39
OPRM1 P35372 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL13980437 1.00 CYP3A4 (0.47) CYP3A4HSD11B1CACNA1GCACNA1HTNKS
SCHEMBL3758795 0.89 CHRM2 (0.40) CYP3A4CACNA1GCACNA1HCHRM2CHRM4
SCHEMBL3758792 0.89 CHRM2 (0.40) CYP3A4CACNA1GCACNA1HCHRM2CHRM4
SCHEMBL3748046 0.89 C5AR1 (0.52) CYP3A4CACNA1GCACNA1HCYP2D6C5AR1
SCHEMBL1834216 0.89 CYP3A4 (0.45) CYP3A4HSD11B1CACNA1GCACNA1HTNKS
SCHEMBL3639898 0.89 C5AR1 (0.52) CYP3A4CACNA1GCACNA1HCYP2D6C5AR1
SCHEMBL1834213 0.89 CYP3A4 (0.45) CYP3A4HSD11B1CACNA1GCACNA1HTNKS
SCHEMBL3749221 0.89 CHRM2 (0.40) CYP3A4CACNA1GCACNA1HCHRM2CHRM4
SCHEMBL3631866 0.89 CHRM2 (0.40) CYP3A4CACNA1GCACNA1HCHRM2CHRM4
SCHEMBL3636497 0.87 SMN1; SMN2 (0.43) CYP3A4CACNA1GCACNA1HCHRM2CHRM4

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 9 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
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 claimed
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 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-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
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 694/4885HSD11B1 732/4885CACNA1G 3265/4885

“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.