SCHEMBL5501217

SCHEMBL5501217

CN(C)c1ccc2c(c1)N(CCCN1CCC(C(=O)O)CC1)c1ccccc1CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.51
CHRM1 P11229 10/20 0.51
CHRM2 P08172 9/20 0.51
CHRM4 P08173 9/20 0.51
CHRM5 P08912 9/20 0.51
CHRM3 P20309 9/20 0.51
DRD4 P21917 9/20 0.51
DRD3 P35462 9/20 0.51
HRH1 P35367 2/20 0.50
SLC6A1 P30531 1/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
SLC6A4 P31645 1/20 0.46

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
SCHEMBL6963939 0.88 KDM4E (0.52) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5500223 0.87 CHRM1 (0.61) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6962296 0.86 CHRM1 (0.60) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5494740 0.85 SLC6A1 (0.60) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5494495 0.85 DRD2 (0.57) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL7166172 0.84 SLC6A1 (0.58) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6963930 0.84 DRD2 (0.56) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5495263 0.82 DRD2 (0.55) DRD2CHRM1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL7167859 0.82 MEN1 (0.55) DRD2CHRM1CHRM2CHRM4CHRM5
SCHEMBL5499486 0.81 DRD2 (0.49) DRD2CHRM1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 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-6071901-A TREATING PAIN, HYPERALGESIA AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE; INHIBITION OF NEUROGENIC INFLAMMATION INVOLVING THE RELEASE OF NEURO-PEPTIDE FROM PERIPHERAL AND CENTRAL ENDINGS OF SENSORY NERVES NOVO NORDISK A/S (DK) 2000-06-06 US claimed
EP-0820451-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP claimed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed
US-20070066570-A1 Methods for treating sleep disorders HYPNION, INC. 2007-03-22 US disclosed
US-6613791-B1 Treating migraine, neurogenic inflammation, rheumatoid arthritis or insulin resistance NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0820451-B1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
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-6239148-B1 TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A ROLE BY ELICITING NEUROGENIC PAIN, INSULIN RESISTANCE IN DIABETES MELLITUS OR AGING, INHIBIT INSULIN ANTAGONIZING PEPTIDE, NOVO NORDISK A/S (DK) 2001-05-29 US disclosed
US-6166009-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK A/S (DK) 2000-12-26 US disclosed
US-6110913-A ANTIINFLAMMATORY AGENTS, ANALGESICS NOVO NORDISK A/S (DK) 2000-08-29 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-6071901-A TREATING PAIN, HYPERALGESIA AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE; INHIBITION OF NEUROGENIC INFLAMMATION INVOLVING THE RELEASE OF NEURO-PEPTIDE FROM PERIPHERAL AND CENTRAL ENDINGS OF SENSORY NERVES NOVO NORDISK A/S (DK) 2000-06-06 US disclosed
EP-0820451-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-01-28 EP disclosed
WO-1996031498-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 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 (2 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-20070066570-A1 Methods for treating sleep disorders HCRTR2, HNMT, HCRTR1 DRD2 366/4885CHRM1 460/4885CHRM2 178/4885
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 DRD2 2668/4885CHRM1 4192/4885CHRM2 3498/4885

“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.