SCHEMBL6971726

SCHEMBL6971726

O=C(O)CC1CCN(CCC=C2c3ccccc3CCc3cc(Br)ccc32)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.42
TBXA2R P21731 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2B P41595 1/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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 SCHEMBL6958998 0.99 HRH1 (0.42) HRH1TBXA2RSIGMAR1HTR2B
SCHEMBL6959262 0.85 HRH1 (0.48) HRH1TBXA2RSIGMAR1
Hydrochloric Acid SCHEMBL7603917 0.82 ALDH1A1 (0.52)
SCHEMBL7604912 0.81 HRH1 (0.44) HRH1TBXA2RSIGMAR1
SCHEMBL7609346 0.79 HRH1 (0.43) HRH1TBXA2RSIGMAR1
SCHEMBL7609166 0.77 HRH1 (0.48) HRH1TBXA2RSIGMAR1
SCHEMBL7605268 0.76 SIGMAR1 (0.48) HRH1TBXA2RSIGMAR1
SCHEMBL7603087 0.76 HRH1 (0.45) HRH1TBXA2RSIGMAR1
SCHEMBL7472371 0.76 LTA4H (0.47) HRH1TBXA2RSIGMAR1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL8182026 0.76 HRH1 (0.47) HRH1SIGMAR1

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 12 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-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 HRH1 1274/4885TBXA2R 37/4885SIGMAR1 3144/4885

“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.