SCHEMBL7464940

SCHEMBL7464940

O=C(O)C1CCN(CCCN2c3ccccc3OCOc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.55
DRD2 P14416 5/20 0.53
HRH1 P35367 3/20 0.53
HTR2A P28223 3/20 0.53
KCNH2 Q12809 2/20 0.53
CHRM5 P08912 2/20 0.53
MCHR1 Q99705 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM3 P20309 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
LTA4H P09960 2/20 0.47
CYP2J2 P51589 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45

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 SCHEMBL7470371 0.99 CHRM1 (0.54) CHRM1DRD2HRH1HTR2AKCNH2
SCHEMBL6968853 0.90 DRD2 (0.54) CHRM1DRD2HRH1HTR2AKCNH2
Hydrochloric Acid SCHEMBL6970270 0.89 DRD2 (0.53) CHRM1DRD2HRH1HTR2AKCNH2
SCHEMBL7465752 0.85 CHRM1 (0.51) CHRM1DRD2HRH1HTR2AKCNH2
SCHEMBL7466060 0.84 ALDH1A1 (0.53) CHRM1KCNH2LTA4H
SCHEMBL5500223 0.81 CHRM1 (0.61) CHRM1DRD2HRH1CHRM5CHRM2
SCHEMBL6966810 0.80 DRD2 (0.75) CHRM1DRD2HRH1HTR2AKCNH2
Hydrochloric Acid SCHEMBL6962296 0.80 CHRM1 (0.60) CHRM1DRD2CHRM5CHRM2CHRM4
SCHEMBL7468275 0.79 DRD2 (0.63) CHRM1DRD2HRH1HTR2AKCNH2
Hydrochloric Acid SCHEMBL6969678 0.79 DRD2 (0.74) CHRM1DRD2HRH1HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 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-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US 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
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

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 CHRM1 4192/4885DRD2 2668/4885HRH1 1274/4885

“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.