SCHEMBL327054

SCHEMBL327054

COC1NCCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.56
GID4 Q8IVV7 1/20 0.55
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
SLC22A1 O15245 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
OPRM1 P35372 1/20 0.47
MAOA P21397 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL31062461 1.00 PRCP (0.56) PRCPGID4GAARECQLSLC22A1
Hydrochloric Acid SCHEMBL2771890 0.98 PRCP (0.54) PRCPGID4GAARECQLSLC22A1
SCHEMBL1038233 0.89 GID4 (0.45) PRCPGID4GAARECQLHTR2A
SCHEMBL28302626 0.82 GID4 (0.49) PRCPGID4GAARECQLSLC22A1
SCHEMBL8813918 0.82 GID4 (0.49) PRCPGID4GAARECQLSLC22A1
SCHEMBL4766983 0.81 ALDH1A1 (0.40) PRCPGID4TSHRMAOAMEN1
SCHEMBL986611 0.81 PRCP (0.60) PRCPGID4GAARECQLSLC22A1
SCHEMBL987517 0.81 PRCP (0.51) PRCPGID4GAARECQLSLC22A1
SCHEMBL28485796 0.80 GID4 (0.48) PRCPGID4GAARECQLSLC22A1
SCHEMBL5708928 0.80 TAAR1 (0.55) PRCPGID4HTR2AOPRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107163096-B Troxerutin amide derivative and synthesis method and application thereof 河南工业大学 2020-01-14 CN disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 US disclosed
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 WO disclosed
US-8044067-B2 Isoquinolines as IGF-1R inhibitors ANALYTECON S.A. (CH) 2011-10-25 US disclosed
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
US-7842695-B2 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2010-11-30 US disclosed
US-20090099229-A1 Isoquinolines as IGF-1R Inhibitors ANALYTECON S.A (CH) 2009-04-16 US disclosed
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors ANALYTECON S.A. (CH) 2007-06-07 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
EP-1708999-A1 BRONCHORELAXING COMPOUNDS RESPIRATORIUS AB (SE) 2006-10-11 EP disclosed
US-20060040919-A1 Bronchorelaxing compounds RESPIRATORIUS AB (SE) 2006-02-23 US disclosed
WO-2005070887-A1 BRONCHORELAXING COMPOUNDS RESPIRATORIUS AB (SE) 2005-08-04 WO disclosed
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 US disclosed
WO-1987005295-A1 DERIVATIVES OF (NITRO-2 OR AMINO-2 BENZYL)-2 TETRAHYDRO-1,2,3,4 ISOQUINOLEINES, AS WELL AS METHODS FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNIVERSITE LOUIS PASTEUR (FR) 1987-09-11 WO disclosed
EP-0236251-A2 2-(2-aminobenzyl)-1,2,3,4-tetrahydroisoquinolines, processes for obtaining them and pharmaceutical compositions containing them UNIVERSITE LOUIS PASTEUR (STRASBOURG I) (FR) 1987-09-09 EP disclosed
US-3714171-A 1-(2-CYCLOHEXYLETHYL) -6 OR 7 METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE AND ACID ADDITION SALTS THEREOF TANABE SEIYAKU CO 1973-01-30 US 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 (6 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 PRCP 3669/4885GID4 2294/4885GAA 4674/4885
US-20070010531-A1 Substituted pyrazole compounds HTR3A, HTR1A, HTR1D PRCP 2831/4885GID4 3267/4885GAA 4607/4885
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 PRCP 2631/4885GID4 2019/4885GAA 4326/4885
US-20060040919-A1 Bronchorelaxing compounds CHRM3, GPR3, CHRM2 PRCP 3889/4885GID4 4028/4885GAA 4298/4885
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors IGF1R, INSR, GPR119 PRCP 3452/4885GID4 275/4885GAA 4179/4885
US-20090099229-A1 Isoquinolines as IGF-1R Inhibitors IGF1R, IGFBP1, IGF2BP1 PRCP 4472/4885GID4 157/4885GAA 3695/4885

“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.