SCHEMBL308272

SCHEMBL308272

[CH2]C1=CCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
MAOA P21397 3/20 0.36
CES1 P23141 2/20 0.36
MAOB P27338 2/20 0.33
BCHE P06276 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL307693 0.73 MEN1 (0.38) KMT2ATSHRKDM4ENPC1ALDH1A1
SCHEMBL4448887 0.72 HTR6 (0.41) HTR6MAOACES1MAOBBCHE
SCHEMBL7960264 0.72 HTR6 (0.41) HTR6MAOACES1MAOBBCHE
SCHEMBL30041622 0.70 HTR6 (0.48) HTR6MAOACES1MAOBTSHR
SCHEMBL4448883 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL30057710 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL17073935 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL6925588 0.70 HTR6 (0.48) HTR6MAOACES1MAOBTSHR
SCHEMBL21694409 0.70 HTR6 (0.40) HTR6MAOACES1MAOBBCHE
SCHEMBL12743937 0.70 HTR6 (0.44) HTR6MAOACES1MAOBBCHE

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 132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105899216-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2019-03-05 CN claimed
CN-103923070-A Efficient Process For The Preparation Of Lapatinib And Salts Thereof By Means Of New Intermediates ITALIANA SINT SPA 2014-07-16 CN claimed
US-8093354-B2 Process for preparing glycopeptide phosphonate derivatives THERAVANCE, INC. (US) 2012-01-10 US claimed
US-20110060122-A1 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2011-03-10 US claimed
US-20080227963-A1 Process for preparing glycopeptide phosphonate derivatives CUMBERLAND PHARMACEUTICALS INC. 2008-09-18 US claimed
EP-1418933-B1 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE INC (US) 2007-05-02 EP claimed
EP-1419174-B1 PROCESS FOR PREPARING GLYCOPEPTIDE DERIVATIVES THERAVANCE INC (US) 2007-04-18 EP claimed
US-20060264607-A1 Process for preparing glycopeptide phosphonate derivatives CUMBERLAND PHARMACEUTICALS INC. 2006-11-23 US claimed
CN-1246036-C Process for preparing glycopeptide phosphonate derivatives THERAVANCE INC (US) 2006-03-22 CN claimed
US-7015305-B2 Process for preparing glycopeptide derivatives THERAVANCE, INC. (US) 2006-03-21 US claimed
EP-1419174-A4 PROCESS FOR PREPARING GLYCOPEPTIDE DERIVATIVES THERAVANCE INC (US) 2005-10-12 EP claimed
CN-1610692-A Process for preparing glycopeptide derivatives THERAVANCE INC (US) 2005-04-27 CN claimed
CN-1547481-A Process for preparing glycopeptide phosphonate derivatives ������ҩ�����޹�˾ 2004-11-17 CN claimed
EP-1418933-A4 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE INC (US) 2004-10-27 EP claimed
EP-1418933-A2 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES Theravance, Inc. (US) 2004-05-19 EP claimed
EP-1419174-A2 PROCESS FOR PREPARING GLYCOPEPTIDE DERIVATIVES Theravance, Inc. (US) 2004-05-19 EP claimed
WO-2003029270-A2 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2003-04-10 WO claimed
US-20030069391-A1 Process for preparing glycopeptide phosphonate derivatives CUMBERLAND PHARMACEUTICALS INC. 2003-04-10 US claimed
US-20030045457-A1 Process for preparing glycopeptide derivatives CUMBERLAND PHARMACEUTICALS INC. 2003-03-06 US claimed
WO-2003018607-A2 PROCESS FOR PREPARING GLYCOPEPTIDE DERIVATIVES THERAVANCE, INC. (US) 2003-03-06 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20030045457-A1 Process for preparing glycopeptide derivatives GYPA, VIP, OGT HTR6 4005/4885MAOA 3292/4885CES1 3689/4885
US-20060264607-A1 Process for preparing glycopeptide phosphonate derivatives PGLS, GYPA, PAG1 HTR6 4402/4885MAOA 4574/4885CES1 3054/4885
US-20080227963-A1 Process for preparing glycopeptide phosphonate derivatives PGLS, GYPA, PAG1 HTR6 4402/4885MAOA 4574/4885CES1 3054/4885
US-20110060122-A1 PROCESS FOR PREPARING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES PGLS, GYPA, PAG1 HTR6 4402/4885MAOA 4574/4885CES1 3054/4885
US-20030069391-A1 Process for preparing glycopeptide phosphonate derivatives PGLS, GYPA, PAG1 HTR6 4402/4885MAOA 4574/4885CES1 3054/4885

“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.