SCHEMBL8250779

SCHEMBL8250779

Cc1ccc(O)c(Cn2c(NCCCN3CCOCC3)nc3ccc(CO)cc32)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.49
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DHFR P00374 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
MCHR1 Q99705 4/20 0.39
EGFR P00533 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL14002725 0.97 TRPC5 (0.47) TRPC5MAPK1USP2MAPTTSHR
SCHEMBL8250142 0.96 TRPC5 (0.54) TRPC5MAPK1TSHRALDH1A1MEN1
SCHEMBL8250773 0.93 TRPC5 (0.58) TRPC5MAPK1USP2MAPTTSHR
SCHEMBL14007607 0.93 TRPC5 (0.56) TRPC5MAPK1USP2MAPTTSHR
SCHEMBL8241916 0.92 TRPC5 (0.49) TRPC5MAPK1USP2MAPTTSHR
SCHEMBL8294232 0.91 MCHR1 (0.40) TRPC5TDP1MCHR1EGFRHPGD
SCHEMBL8292586 0.91 TRPC5 (0.48) TRPC5MAPK1USP2MAPTTSHR
SCHEMBL8284438 0.90 TRPC5 (0.55) TRPC5MAPK1USP2MAPTTSHR
SCHEMBL8284460 0.89 TRPC5 (0.47) TRPC5MAPK1USP2MAPTTSHR
SCHEMBL8250145 0.89 TRPC5 (0.54) TRPC5MAPK1USP2MAPTTSHR

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 18 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-8034835-B2 1-[[2-amino-3-(substituted alkyl)-3H-benzimidazolyl[methyl]-3-substituted-1,3-dihydro-benzoimidazol-2-ones and structural analogs TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-11 US disclosed
US-8034835-B2 1-[[2-amino-3-(substituted alkyl)-3H-benzimidazolyl[methyl]-3-substituted-1,3-dihydro-benzoimidazol-2-ones and structural analogs TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-11 US disclosed
US-20100272683-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-10-28 US disclosed
US-20100272683-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES JANSSEN SCIENCES IRELAND UC (IE) 2010-10-28 US disclosed
US-20100183552-A1 1-[2-AMINO-3-(SUBSTITUTED ALKYL)-3H-BENZIMIDAZOLYLMETHYL]-3-SUBSTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AND STRUCTURAL ANALOGS JANSSEN SCIENCES IRELAND UC (IE) 2010-07-22 US disclosed
US-20100183552-A1 1-[2-AMINO-3-(SUBSTITUTED ALKYL)-3H-BENZIMIDAZOLYLMETHYL]-3-SUBSTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AND STRUCTURAL ANALOGS JANSSEN SCIENCES IRELAND UC (IE) 2010-07-22 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
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
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-2006136562-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 WO disclosed
WO-2006136561-A1 1- ( 2-AMINO-3- (SUBSTITUTED ALKYL)-3H-BENZIMIDAZOIYLMETHYL) -3-SUBTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES WITH ACTIVITY ON RESPIRATORY SYNCYTIAL VIRUS TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 WO 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 (4 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 TRPC5 3696/4885MAPK1 2219/4885USP2 3311/4885
US-20100183552-A1 1-[2-AMINO-3-(SUBSTITUTED ALKYL)-3H-BENZIMIDAZOLYLMETHYL]-3-SUBSTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AND STRUCTURAL ANALOGS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, HRH4 TRPC5 4397/4885MAPK1 1448/4885USP2 3828/4885
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 TRPC5 3474/4885MAPK1 3244/4885USP2 3469/4885
US-20100272683-A1 HETEROCYCLYLAMINOALKYL SUBSTITUTED BENZIMIDAZOLES HRH4, HTR4, HTR3C TRPC5 1157/4885MAPK1 2877/4885USP2 4085/4885

“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.