SCHEMBL3745839

SCHEMBL3745839

O=C(OC[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)N1CCC(n2c(=O)n(S(=O)(=O)c3ccccc3)c3ccccc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CHRM5 P08912 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35

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
SCHEMBL3633292 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CACNA1GCACNA1HCHRM5CHRM1
SCHEMBL3635264 0.89 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1GCACNA1HCHRM5CHRM1
SCHEMBL3752377 0.89 SMN1; SMN2 (0.40) SMN1; SMN2CACNA1GCACNA1HCHRM5CHRM1
SCHEMBL1834213 0.85 CYP3A4 (0.45) SMN1; SMN2CACNA1GCACNA1HCHRM5CHRM1
SCHEMBL1834216 0.85 CYP3A4 (0.45) SMN1; SMN2CACNA1GCACNA1HCHRM5CHRM1
SCHEMBL3745845 0.85 SMN1; SMN2 (0.35) SMN1; SMN2CACNA1GCACNA1HCHRM5CHRM1
SCHEMBL3673905 0.84 CYP3A4 (0.50) CACNA1GCACNA1HCYP3A4CYP2D6
SCHEMBL3748073 0.84 CYP3A4 (0.50) CACNA1GCACNA1HCYP3A4CYP2D6
SCHEMBL3748076 0.84 CYP3A4 (0.50) CACNA1GCACNA1HCYP3A4CYP2D6
SCHEMBL3632017 0.84 ALDH1A1 (0.39) SMN1; SMN2CACNA1GCACNA1HCHRM5CHRM1

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 5 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-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 SMN1; SMN2 3696/4885CACNA1G 3265/4885CACNA1H 3713/4885

“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