SCHEMBL7609508

SCHEMBL7609508

O=C(O)CCC1CCN(CCC=C2c3ccccc3CSc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
CYP2D6 P10635 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ADRA2A P08913 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA1A P35348 2/20 0.47
HRH1 P35367 2/20 0.47
DRD3 P35462 2/20 0.47
OPRK1 P41145 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL7604131 0.94 CYP2D6 (0.46) SIGMAR1CYP2D6ALDH1A1ADRA2ADRD2
SCHEMBL7611480 0.94 SIGMAR1 (0.47) SIGMAR1CYP2D6ALDH1A1ADRA2ADRD2
SCHEMBL7603762 0.93 SIGMAR1 (0.47) SIGMAR1CYP2D6ALDH1A1ADRA2ADRD2
SCHEMBL7608642 0.90 CYP2D6 (0.42) SIGMAR1CYP2D6ALDH1A1ADRA2ADRD2
SCHEMBL7607325 0.89 ALDH1A1 (0.44) SIGMAR1CYP2D6ALDH1A1ADRA2ADRD2
SCHEMBL7603081 0.88 SIGMAR1 (0.64) SIGMAR1CYP2D6ALDH1A1ADRA2ADRD2
SCHEMBL7783140 0.88 CHRM1 (0.49) SIGMAR1CYP2D6HRH1CHRM1MAPK1
SCHEMBL7609166 0.87 HRH1 (0.48) SIGMAR1HRH1DRD3CHRM1HRH3
SCHEMBL6968455 0.86 SIGMAR1 (0.53) SIGMAR1CYP2D6ALDH1A1ADRA2ADRD2
Hydrochloric Acid SCHEMBL8182026 0.86 HRH1 (0.47) SIGMAR1ALDH1A1SLC6A2HRH1CHRM1

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
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-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 SIGMAR1 3144/4885CYP2D6 780/4885ALDH1A1 1042/4885

“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.