SCHEMBL3065181

SCHEMBL3065181

CC1CCCN1Cc1coc(-c2ccc(OCCN3CCCCCC3)cc2)n1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.69
LTA4H P09960 1/20 0.48
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 2/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL3072254 0.97 HRH3 (0.65) HRH3LTA4HHRH2HRH1KCNH2
SCHEMBL3066513 0.96 HRH3 (0.76) HRH3HRH2HRH1KCNH2TLR9
SCHEMBL3072967 0.96 HRH3 (0.76) HRH3HRH2HRH1KCNH2TLR9
SCHEMBL3083808 0.94 HRH3 (0.73) HRH3HRH2HRH1KCNH2TLR9
SCHEMBL3070440 0.94 HRH3 (0.76) HRH3HRH2HRH1KCNH2TLR9
SCHEMBL3068216 0.92 HRH3 (0.69) HRH3HRH2HRH1KCNH2
SCHEMBL3076573 0.91 HRH3 (0.74) HRH3HRH2HRH1KCNH2
SCHEMBL3071592 0.91 HRH3 (0.74) HRH3HRH2HRH1KCNH2
SCHEMBL3071885 0.91 HRH3 (0.74) HRH3HRH2HRH1KCNH2
SCHEMBL3070775 0.90 HRH3 (0.62) HRH3HRH2HRH1KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381503-B2 Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US claimed
US-20150011758-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS Mitsubishi Chemical UK Limited (GB) 2015-01-08 US claimed
US-7790720-B2 Compounds comprising an oxazole or thiazole moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2010-09-07 US claimed
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-11-06 US claimed
US-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2015-01-08 US disclosed
US-7790720-B2 Compounds comprising an oxazole or thiazole moiety, processes for making them, and their uses UCB PHARMA, S.A. (BE) 2010-09-07 US disclosed
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF CEPHALON, INC. (US) 2010-05-13 US disclosed
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2008-11-06 US disclosed
EP-1866293-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2007-12-19 EP disclosed
WO-2006103045-A1 COMPOUNDS COMPRISING AN OXAZOLE OR THIAZOLE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA S.A. (BE) 2006-10-05 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 (3 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-20150011759-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR HRH3 1100/4885LTA4H 4357/4885HRH2 1116/4885
US-20100121055-A1 PROCESSES FOR PREPARING (R)-2-METHYLPYRROLIDINE AND (S)-2-METHYLPYRROLIDINE AND TARTRATE SALTS THEREOF TPMT, SPR, QDPR HRH3 1100/4885LTA4H 4357/4885HRH2 1116/4885
US-20080275046-A1 Compounds Comprising an Oxazole or Thiazole Moiety, Processes for Making Them, and Their Uses OXER1, OXTR, OGFR HRH3 4/4885LTA4H 627/4885HRH2 16/4885

“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.