SCHEMBL6971107

SCHEMBL6971107

O=C(O)C1CCN(CC=C2c3ccccc3COc3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.60
HRH1 P35367 5/20 0.60
KCNH2 Q12809 2/20 0.46
HTR2B P41595 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SLC22A1 O15245 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
SLC6A2 P23975 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
SCHEMBL8717428 0.87 TBXA2R (0.60) TBXA2RHRH1CYP1A2CYP2D6TSHR
Hydrochloric Acid SCHEMBL7609379 0.86 TBXA2R (0.59) TBXA2RHRH1ALDH1A1LMNA
SCHEMBL6967447 0.86 HRH1 (0.48) TBXA2RHRH1KCNH2HTR2BALDH1A1
Oxalic Acid SCHEMBL6969816 0.85 RAB9A (0.54) TBXA2RHRH1ALDH1A1MEN1TSHR
Hydrochloric Acid SCHEMBL6965368 0.84 HRH1 (0.47) TBXA2RHRH1KCNH2HTR2BALDH1A1
SCHEMBL9130146 0.81 HRH1 (0.56) TBXA2RHRH1KCNH2HTR2BALDH1A1
SCHEMBL9130158 0.81 HRH1 (0.56) TBXA2RHRH1KCNH2HTR2BALDH1A1
Hydrochloric Acid SCHEMBL9422958 0.80 ALDH1A1 (0.56) TBXA2RHRH1KCNH2HTR2BALDH1A1
Hydrochloric Acid SCHEMBL9422956 0.80 ALDH1A1 (0.56) TBXA2RHRH1KCNH2HTR2BALDH1A1
SCHEMBL6963328 0.79 LMNA (0.49) TBXA2RHRH1KCNH2HTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP claimed
US-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis LUBRIZOL CORPORATION, THE 2002-04-18 US claimed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP claimed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO claimed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US claimed
EP-0934313-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP claimed
WO-1998015549-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO claimed
EP-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP disclosed
US-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis LUBRIZOL CORPORATION, THE 2002-04-18 US disclosed
EP-1135129-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2001-09-26 EP disclosed
WO-2000032193-A1 USE OF N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS FOR THE MANUFACTURE OF A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INDICATIONS RELATED TO ANGIOGENESIS NOVO NORDISK A/S (DK) 2000-06-08 WO disclosed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US disclosed
EP-0934313-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015549-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 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-20020045610-A1 Use of N-substituted azaheterocyclic compounds for the manufacture of a pharmaceutical composition for the treatment of indications related to angiogenesis VEGFA, KDR, FLT4 TBXA2R 37/4885HRH1 1274/4885KCNH2 3681/4885

“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.