SCHEMBL8285134

SCHEMBL8285134

COc1ccc(C)nc1Cn1c(NCCCN2CCOCC2)nc2ccc(CN(CCCC(N)=O)c3cc(C)cc(C)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
TRPC5 Q9UL62 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 4/20 0.37
MCHR1 Q99705 1/20 0.36
QPCT Q16769 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
STING1 Q86WV6 1/20 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
SCHEMBL4860786 0.92 TRPC5 (0.39) ALDH1A1KDM4EHPGDMAPTTRPC5
SCHEMBL4865496 0.86 TRPC5 (0.40) ALDH1A1KDM4EHPGDMAPTTRPC5
SCHEMBL4858390 0.85 TRPC5 (0.38) ALDH1A1KDM4EMAPTTRPC5TSHR
SCHEMBL4862701 0.85 TRPC5 (0.38) ALDH1A1KDM4EMAPTTRPC5TSHR
SCHEMBL14271693 0.84 LMNA (0.38) CYP2D6CYP2C9LMNACYP1A2CYP3A4
SCHEMBL4864386 0.84 TRPC5 (0.38) ALDH1A1MAPTTRPC5TSHRMCHR1
SCHEMBL4859555 0.83 TRPC5 (0.40) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL8284460 0.83 TRPC5 (0.47) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL4864728 0.83 TRPC5 (0.41) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL4856032 0.82 PIK3C2B (0.39) ALDH1A1KDM4ETRPC5TSHRMCHR1

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-8883837-B2 Morpholinyl containing benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN PHARMACEUTICA NV (BE) 2014-11-11 US disclosed
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-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
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
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
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
WO-2005058871-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 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 (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 ALDH1A1 3486/4885KDM4E 1843/4885GLA 4279/4885
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 ALDH1A1 3915/4885KDM4E 1591/4885GLA 4383/4885

“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.