SCHEMBL2321988

SCHEMBL2321988

ONC1CCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.66
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
SLC18A3 Q16572 1/20 0.56
MAOA P21397 4/20 0.54
MAOB P27338 4/20 0.54
BCHE P06276 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ACHE P22303 1/20 0.54
ADRA1A P35348 1/20 0.54
HTR6 P50406 1/20 0.54
KDM1A O60341 1/20 0.51
FADS1 O60427 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
HTT P42858 1/20 0.46
EPHX2 P34913 2/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL8664436 1.00 PDPK1 (0.66) PDPK1CA1CA2SLC18A3MAOA
SCHEMBL6344102 0.88 HTT (0.59) TAS1R3TAS1R1TAS1R2HTTALDH1A1
SCHEMBL2322457 0.83 PDPK1 (0.70) PDPK1CA1CA2SLC18A3MAOA
Hydrochloric Acid SCHEMBL7123292 0.81 PDPK1 (0.68) PDPK1CA1CA2SLC18A3MAOA
SCHEMBL19508305 0.79 PDPK1 (0.66) PDPK1CA1CA2SLC18A3MAOA
SCHEMBL20354303 0.79 PDPK1 (0.66) PDPK1CA1CA2SLC18A3MAOA
SCHEMBL61508 0.79 PDPK1 (1.00) PDPK1CA1CA2SLC18A3MAOA
SCHEMBL1488037 0.79 PDPK1 (0.66) PDPK1CA1CA2SLC18A3MAOA
SCHEMBL6850366 0.79 PDPK1 (0.66) PDPK1CA1CA2SLC18A3MAOA
SCHEMBL13618841 0.79 PDPK1 (0.66) PDPK1CA1CA2SLC18A3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517103-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF Pharma Two B Ltd. (IL) 2019-07-31 EP disclosed
EP-2531181-B1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF PHARMA TWO B LTD (IL) 2019-04-10 EP disclosed
CN-102791258-B Alleviating prolongation delivery formulations of Rasagiline and application thereof 图必制药公司 2018-05-08 CN disclosed
US-9943489-B2 Extended release formulations of rasagiline and uses thereof PHARMATWOB LTD. (IL) 2018-04-17 US disclosed
EP-2531181-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF Pharma Two B Ltd. (IL) 2012-12-12 EP disclosed
US-20120301542-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF PHARMA TWO B LTD. (IL) 2012-11-29 US disclosed
WO-2011095973-A1 EXTENDED RELEASE FORMULATIONS OF RASAGILINE AND USES THEREOF PHARMA TWO B LTD. (IL) 2011-08-11 WO disclosed
EP-1796675-A4 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO INC (US) 2009-03-04 EP disclosed
US-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
EP-1796675-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES Merck & Co., Inc. (US) 2007-06-20 EP disclosed
WO-2006039252-A2 COMPOSITIONS AND METHODS FOR TREATING OPHTHALMIC DISEASES MERCK & CO., INC. (US) 2006-04-13 WO disclosed
US-6127388-A Azetidine, pyrrolidine and piperidine derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 2000-10-03 US disclosed
US-5998440-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARPE & DOHME LTD. (GB) 1999-12-07 US disclosed
EP-0906308-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
WO-1997045426-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-04 WO disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 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 (1 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-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases CXCL12, CXCR4, CX3CR1 PDPK1 670/4885CA1 2858/4885CA2 621/4885

“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.