SCHEMBL14003144

SCHEMBL14003144

Cc1cc(C)cc(N(CCO)CC(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 3/20 0.31
MAPK1 P28482 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
AR P10275 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MMP14 P50281 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL43166 0.84 MAPT (0.38) TSPOMAPTMAPK1HTTSMN1; SMN2
SCHEMBL12852072 0.79 KMT2A (0.42) TSPOMAPTMAPK1HTTSMN1; SMN2
SCHEMBL14003105 0.77 TSPO (0.34) TSPOCNR1CNR2KDM4EL3MBTL1
SCHEMBL14028574 0.77 CRHR1 (0.43) TSPOMAPTMAPK1HTTSMN1; SMN2
SCHEMBL11122141 0.72 HPGD (0.37) TSPOCNR1CNR2MAPTMAPK1
SCHEMBL18278561 0.72 MAPT (0.34) MAPTMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL16978945 0.71 APP (0.38) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL43496 0.71 GABRA1 (0.43) MAPTMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL7069055 0.71 ALDH1A1 (0.39) TSPOALDH1A1HPGDGAAPOLB
SCHEMBL12933421 0.70 ALDH1A1 (0.40) ALDH1A1KDM4EARMEN1POLB

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-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-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 TSPO 3272/4885CNR1 1410/4885CNR2 1576/4885
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 TSPO 3409/4885CNR1 968/4885CNR2 938/4885

“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.