SCHEMBL3665664

SCHEMBL3665664

C[C@@H](COC(=O)N1CCC(N(C(=S)Nc2ccccc2)c2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
LMNA P02545 2/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 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
SCHEMBL3665668 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1DUSP3PTPN5
SCHEMBL3668819 0.91 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1DUSP3PTPN5
SCHEMBL3668821 0.91 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1DUSP3PTPN5
SCHEMBL3639021 0.84 CHRM2 (0.54) OPRD1KMT2AMEN1OPRM1
SCHEMBL3635106 0.84 OPRD1 (0.57) OPRD1OPRM1
SCHEMBL3635103 0.84 OPRD1 (0.57) OPRD1OPRM1
SCHEMBL3741708 0.84 CHRM2 (0.54) OPRD1KMT2AMEN1OPRM1
SCHEMBL3753003 0.84 OPRD1 (0.43) SMN1; SMN2OPRD1KMT2AMEN1OPRM1
SCHEMBL3753010 0.84 OPRD1 (0.43) SMN1; SMN2OPRD1KMT2AMEN1OPRM1
SCHEMBL3671615 0.83 OPRD1 (0.43) SMN1; SMN2OPRD1KMT2AMEN1OPRM1

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-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

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 3696/4885MAPT 1935/4885ALDH1A1 898/4885

“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.