SCHEMBL4863612

SCHEMBL4863612

CNS(=O)(=O)CCCCNc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
GFER P55789 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
FBP1 P09467 5/20 0.39
MEN1 O00255 1/20 0.39
EGFR P00533 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
SCHEMBL4940220 0.85 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1257436 0.84 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8969909 0.84 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4863177 0.84 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1257434 0.82 MAPT (0.57) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1897682 0.82 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4863619 0.81 MAPT (0.52) MAPTCYP3A4CYP2C9CYP2C19HTT
SCHEMBL9551536 0.81 MAPT (0.59) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11111034 0.79 MAPT (0.83) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10642878 0.78 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 US disclosed
US-7449463-B2 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-11-11 US disclosed
EP-1697345-B1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2008-03-12 EP disclosed
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent JANSSEN SCIENCES IRELAND UC (IE) 2007-02-22 US 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 (2 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-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION RIN1, ZC3HAV1L, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAPT 4756/4885CYP1A2 518/4885CYP3A4 156/4885
US-20070043022-A1 2-[6-{[2-(3-Hydroxy-propyl)-5-methyl-phenylamino]-methyl}-2-(3-morpholin-4-yl-propylamino)-benzimidazol-1-ylmethyl]-6-methyl-pyridin-3-ol, or its N-oxide, salt, quaternary amine, or metal complex; optionally with an additional antiviral agent H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3 MAPT 4694/4885CYP1A2 628/4885CYP3A4 212/4885

“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.