SCHEMBL7603969

SCHEMBL7603969

O=C(O)CCC1CCCN(CCC=C2c3ccccc3CCc3ccccc32)C1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.45
TBXA2R P21731 1/20 0.45
CHRM1 P11229 1/20 0.43
DRD3 P35462 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC6A1 P30531 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 SCHEMBL8186987 0.99 HRH1 (0.44) HRH1TBXA2RCHRM1DRD3HRH3
SCHEMBL7604912 0.94 HRH1 (0.44) HRH1TBXA2RCHRM1
SCHEMBL7782315 0.88 CHRM1 (0.47) HRH1TBXA2RCHRM1
SCHEMBL7607325 0.88 ALDH1A1 (0.44) HRH1TBXA2RCHRM1DRD3HRH3
SCHEMBL7609346 0.88 HRH1 (0.43) HRH1TBXA2RCHRM1
SCHEMBL7609166 0.87 HRH1 (0.48) HRH1TBXA2RCHRM1DRD3HRH3
SCHEMBL8187207 0.86 HRH1 (0.42) HRH1TBXA2RCHRM1DRD3HRH3
Hydrochloric Acid SCHEMBL8182026 0.86 HRH1 (0.47) HRH1CHRM1ALDH1A1LMNA
SCHEMBL5498837 0.83 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3063792 0.83 SLC6A1 (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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-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
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 1274/4885TBXA2R 37/4885CHRM1 4192/4885

“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.