SCHEMBL5498162

SCHEMBL5498162

CCCC(CN1c2ccccc2CCc2ccccc21)CN1CCCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
ACE P12821 3/20 0.41
SLC6A1 P30531 1/20 0.41
CYP2D6 P10635 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL5500193 0.84 SLC6A2 (0.47) SMN1; SMN2ACESLC6A1CYP2D6CHRM2
SCHEMBL6693594 0.81 SLC6A1 (0.60) SLC6A1KMT2A
SCHEMBL5500341 0.81 SLC6A1 (0.60) SLC6A1KMT2A
Hydrochloric Acid SCHEMBL7172024 0.80 SLC6A1 (0.59) SLC6A1
SCHEMBL5499036 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ACESLC6A1CHRM2CHRM4
SCHEMBL5500265 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ACESLC6A1CHRM2CHRM4
SCHEMBL5493791 0.78 ACE (0.49) SMN1; SMN2ACECHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL7168000 0.77 SMN1; SMN2 (0.44) SMN1; SMN2SLC6A1CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL7164057 0.77 SMN1; SMN2 (0.44) SMN1; SMN2SLC6A1CHRM2CHRM4CHRM1
SCHEMBL5495043 0.77 SLC6A1 (0.48) SMN1; SMN2SLC6A1CYP2D6CHRM2CHRM4

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 10 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-20070066570-A1 Methods for treating sleep disorders HYPNION, INC. 2007-03-22 US disclosed
US-6569849-B1 N-Substituted azaheterocyclic compounds NOVO NORDISK A/S (DK) 2003-05-27 US 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
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-0934306-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
WO-1998015546-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 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 SMN1; SMN2 1009/4885ACE 1334/4885SLC6A1 100/4885
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 SMN1; SMN2 1377/4885ACE 2012/4885SLC6A1 3399/4885

“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.