SCHEMBL3569692

SCHEMBL3569692

COc1cnc2ccc[c]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 3/20 0.40
PDPK1 O15530 1/20 0.36
ALDH1A1 P00352 7/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NQO2 P16083 2/20 0.32
POLB P06746 2/20 0.32
PKM P14618 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
SCHEMBL7271710 0.77 CYP1A2 (0.37) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4054735 0.74 PDE10A (0.34) KMT2APDGFRBPDGFRAPOLB
SCHEMBL4526835 0.74 HTT (0.68) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL7974002 0.73 ALDH1A1 (0.37) HTTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3956168 0.73 KDM4E (0.35) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL4848335 0.73 NCF1 (0.32) NPC1RAB9AKDM4EPDPK1ALDH1A1
SCHEMBL7962539 0.69 PDPK1 (0.36) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL20265014 0.68 KDM4E (0.39) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL10991377 0.68 KDM4E (0.42) HTTNPC1RAB9AKDM4EPDPK1
SCHEMBL1147899 0.67 RAB9A (0.42) HTTNPC1RAB9ANPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US claimed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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-20060189604-A1 Compounds ELANE, PIGS, SDHA HTT 2438/4885NPC1 489/4885RAB9A 3294/4885
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 HTT 4094/4885NPC1 4227/4885RAB9A 1476/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS HTT 2180/4885NPC1 452/4885RAB9A 3293/4885

“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.