SCHEMBL4863487

SCHEMBL4863487

Cc1cc(C)cc(NCCCCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.50
THRB P10828 1/20 0.48
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
GPR84 Q9NQS5 1/20 0.41
KCNH3 Q9ULD8 3/20 0.41
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL5604580 0.98 ALDH1A1 (0.59) ALDH1A1HPGDTHRBTP53ALOX15
SCHEMBL8284428 0.92 HPGD (0.58) ALDH1A1HPGDTHRBTP53ALOX15
SCHEMBL6228884 0.91 ALDH1A1 (0.50) ALDH1A1HPGDTHRBTP53ALOX15
SCHEMBL6227488 0.91 ALDH1A1 (0.50) ALDH1A1HPGDTHRBTP53ALOX15
SCHEMBL4863544 0.83 THRB (0.55) ALDH1A1HPGDTHRBTP53ALOX15
SCHEMBL10578809 0.82 MAPT (0.67) ALDH1A1HPGDKCNH3MAPTCYP1A2
SCHEMBL10381587 0.82 ADRA2A (0.50) ALDH1A1THRBGPR84MAPTCYP1A2
SCHEMBL27893435 0.82 ADRA2A (0.50) ALDH1A1THRBGPR84MAPTCYP1A2
SCHEMBL5605010 0.82 ADRA2A (0.50) ALDH1A1THRBGPR84MAPTCYP1A2
SCHEMBL7998280 0.82 ADRA2A (0.50) ALDH1A1THRBGPR84MAPTCYP1A2

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 7 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
EP-1697345-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION Tibotec Pharmaceuticals Ltd. (IE) 2006-09-06 EP 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 3486/4885HPGD 2904/4885THRB 2011/4885
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 3915/4885HPGD 2848/4885THRB 990/4885

“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.