SCHEMBL7603903

SCHEMBL7603903

O=C(O)CCCC1CCN(CCC=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.47
ACHE P22303 3/20 0.43
S1PR5 Q9H228 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
CHRM1 P11229 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 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
Oxalic Acid SCHEMBL8180902 0.98 HRH1 (0.45) HRH1ACHES1PR5SIGMAR1CHRM1
SCHEMBL7609346 0.94 HRH1 (0.43) HRH1ACHESIGMAR1CHRM1
SCHEMBL7609166 0.93 HRH1 (0.48) HRH1ACHESIGMAR1CHRM1DRD3
Hydrochloric Acid SCHEMBL8182026 0.92 HRH1 (0.47) HRH1ACHESIGMAR1CHRM1
SCHEMBL7783140 0.88 CHRM1 (0.49) HRH1ACHESIGMAR1CHRM1
SCHEMBL7611480 0.87 SIGMAR1 (0.47) HRH1SIGMAR1CHRM1CHRM2CHRM3
SCHEMBL7604912 0.87 HRH1 (0.44) HRH1ACHESIGMAR1CHRM1
SCHEMBL7605268 0.86 SIGMAR1 (0.48) HRH1ACHESIGMAR1
SCHEMBL8180481 0.86 DRD2 (0.43) HRH1ACHESIGMAR1CHRM1CHRM2
SCHEMBL7603087 0.86 HRH1 (0.45) HRH1ACHESIGMAR1CHRM1

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
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
EP-0991621-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP claimed
WO-1999000367-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 WO 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 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
US-6114354-A N-substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2000-09-05 US disclosed
US-6100253-A 3-(1-(3-(XANTHEN-9-YLIDENE)-1-PROPYL)PIPERIDIN-4-YL)PROPIONIC ACID, FOR EXAMPLE; TREATING NON-INSULIN DEPENDENT DIABETES, NEUROGENIC INFLAMMATION AND OBESITY; INTERFERE WITH C-FIBERS TO INHIBIT SECRETION OF INSULIN ANTAGONISING PEPTIDES NOVO NORDISK A/S (DK) 2000-08-08 US 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-6066632-A ANALGESICS; ANTIINFLAMMATORY AGENTS NOVO NORDISK A/S (DK) 2000-05-23 US disclosed
EP-0991621-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 2000-04-12 EP disclosed
US-6040318-A TREATING INSULIN RESISTANT NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY, NEUROGENIC INFLAMMATION ASSOCIATED WITH NEUROPATHY OR RHEUMATOID ARTHRITIS NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
WO-1999000367-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-01-07 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 1274/4885ACHE 4544/4885S1PR5 492/4885

“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.