SCHEMBL4451104

SCHEMBL4451104

NCCc1ccc2occc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.50
DYRK1A Q13627 4/20 0.43
CDK9 P50750 1/20 0.43
CYP2A6 P11509 2/20 0.43
TAAR1 Q96RJ0 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 2/20 0.42
MAPT P10636 2/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
SLC6A2 P23975 2/20 0.42
MAPK1 P28482 2/20 0.42
DRD3 P35462 2/20 0.42
RECQL P46063 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PNMT P11086 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9564539 0.87 HTR1B (0.46) HTR1BDYRK1ACDK9CYP2A6CYP2D6
SCHEMBL31061981 0.85 CHRM2 (0.53) HTR1BCYP2A6TAAR1KDM4EADRA2A
SCHEMBL14756115 0.85 CHRM2 (0.53) HTR1BCYP2A6TAAR1KDM4EADRA2A
SCHEMBL31164857 0.84 CA2 (0.55) HTR1BDYRK1ACDK9CYP2A6CA12
SCHEMBL111709 0.84 CA2 (0.55) HTR1BDYRK1ACDK9CYP2A6CA12
Hydrochloric Acid SCHEMBL20563057 0.83 CHRM2 (0.51) HTR1BTAAR1KDM4EADRA2AMAPT
SCHEMBL25742668 0.81 HTR1B (0.47) HTR1BDYRK1ACDK9CYP2A6CYP2D6
SCHEMBL4521327 0.81 HTR1B (0.50) HTR1BDYRK1ACDK9CYP2A6KDM4E
SCHEMBL2095978 0.81 HTR1B (0.50) HTR1BDYRK1ACDK9CYP2A6EPM2A
SCHEMBL14051551 0.81 HTR1B (0.50) HTR1BDYRK1ACDK9CYP2A6EPM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
WO-2016115360-A1 C-MYC LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2016-07-21 WO disclosed
WO-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME COFERON,INC. (US) 2015-07-16 WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
WO-2015081284-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2015-06-04 WO disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2013033269-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
WO-2010112488-A1 METHOD FOR OBTAINING 1,3-DIFUNCTIONALIZED PYRROLIDINE DERIVATIVES RAGACTIVES, S.L.U. (ES) 2010-10-07 WO disclosed
EP-2236509-A1 Method for obtaining 1,3-difunctionalized pyrrolidine derivatives Ragactives, S.L. (ES) 2010-10-06 EP disclosed
EP-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
EP-0819000-A4 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2001-04-11 EP disclosed
US-5962499-A ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS MERCK & CO., INC. (US) 1999-10-05 US disclosed
CN-1184423-A Nodulisporic acid derivatives MERCK & CO INC (US) 1998-06-10 CN disclosed
EP-0819000-A1 NODULISPORIC ACID DERIVATIVES Merck & Co., Inc. (US) 1998-01-21 EP disclosed
WO-1996029073-A1 NODULISPORIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-09-26 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 HTR1B 127/4885DYRK1A 2654/4885CDK9 1124/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 HTR1B 127/4885DYRK1A 2654/4885CDK9 1124/4885

“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.