SCHEMBL99681

SCHEMBL99681

NCCc1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.47
TAAR1 Q96RJ0 5/20 0.41
KCNH2 Q12809 2/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MBOAT4 Q96T53 1/20 0.37
HTR2A P28223 3/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
PARP1 P09874 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HTR7 P34969 2/20 0.33
FAAH O00519 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
Hydrochloric Acid SCHEMBL14157287 0.98 HRH1 (0.45) HRH1TAAR1KCNH2KDM1AMAOA
SCHEMBL7408836 0.88 HRH1 (0.43) HRH1TAAR1KCNH2KDM1AMAOA
Hydrochloric Acid SCHEMBL6431866 0.86 HRH1 (0.42) HRH1TAAR1KCNH2KDM1AMAOA
SCHEMBL522064 0.84 HRH1 (0.56) HRH1TAAR1KCNH2HTR2ALOXL2
SCHEMBL9937806 0.83 KCNH2 (0.39) KCNH2KDM1AMAOAMAOBMBOAT4
SCHEMBL103724 0.82
SCHEMBL30846305 0.82
SCHEMBL1022831 0.80 KCNH2 (0.40) KCNH2KDM1AMAOAMAOBMBOAT4
Hydrochloric Acid SCHEMBL2768799 0.80 KDM1A (0.39) HRH1KCNH2KDM1AMAOAMAOB
SCHEMBL6434949 0.78 KDM1A (0.41) KCNH2KDM1AMAOAMAOBMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
EP-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
US-8173807-B2 Pyridine, pyrimidine and pyrazine derivatives as GPCR agonists PROSIDION LIMITED (GB) 2012-05-08 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
EP-1838698-B1 PYRIMIDINE DERIVATIVES AS GPCR AGONISTS PROSIDION LTD (GB) 2010-09-01 EP disclosed
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists PROSIDION LIMITED (GB) 2010-02-11 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1838698-A1 PYRIMIDINE DERIVATIVES AS GPCR AGONISTS Prosidion Limited (GB) 2007-10-03 EP disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2006070208-A1 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS GPCR AGONISTS PROSIDION LTD. (GB) 2006-07-06 WO disclosed
US-7022724-B2 Cognition enhancing derivatives of isoxazole triazoloindane GABA-A α5 receptor subunit ligands MERCK SHARP & DOHME LTD. (GB) 2006-04-04 US disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
US-20040058970-A1 Cognition enhancing derivatives of isoxazole triazoloindane GABA-A alpha 5 receptor subunit ligands MERCK SHARP & DOHME LTD. (GB) 2004-03-25 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 (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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HRH1 409/4885TAAR1 139/4885KCNH2 644/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HRH1 424/4885TAAR1 143/4885KCNH2 724/4885
US-20040058970-A1 Cognition enhancing derivatives of isoxazole triazoloindane GABA-A alpha 5 receptor subunit ligands GABRA5, GABRA1, GABRB1 HRH1 435/4885TAAR1 133/4885KCNH2 1442/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HRH1 409/4885TAAR1 139/4885KCNH2 644/4885
US-20100035897-A1 Pyridine, pyrimidine and pyrazine derivatives as gpcr agonists GPR119, GPR52, GPR65 HRH1 358/4885TAAR1 54/4885KCNH2 641/4885

“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.