SCHEMBL1908728

SCHEMBL1908728

CC(=O)NCCCNC(=O)NC1CCN(c2ccccn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.50
DRD2 P14416 3/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
DRD3 P35462 2/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL1908712 0.95 ALDH1A1 (0.53) ALDH1A1LMNADRD2CA12CA1
SCHEMBL1912307 0.89 LMNA (0.52) ALDH1A1LMNADRD2CA12CA1
SCHEMBL1908761 0.89 CA12 (0.57) ALDH1A1LMNADRD2CA12CA1
SCHEMBL1908653 0.89 CA12 (0.57) ALDH1A1LMNADRD2CA12CA1
SCHEMBL359301 0.86 ALDH1A1 (0.53) ALDH1A1LMNADRD2CA12CA1
SCHEMBL4233864 0.85 ALDH1A1 (0.54) ALDH1A1LMNADRD2CA12CA1
SCHEMBL3156635 0.85 ALDH1A1 (0.54) ALDH1A1LMNADRD2CA12CA1
SCHEMBL4371640 0.85 ALDH1A1 (0.54) ALDH1A1LMNADRD2CA12CA1
Hydrochloric Acid SCHEMBL2891561 0.84 ALDH1A1 (0.53) ALDH1A1LMNADRD2CA12CA1
SCHEMBL1908729 0.83 CKS1B (0.56) ALDH1A1LMNADRD2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 478/4885LMNA 4096/4885DRD2 216/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 ALDH1A1 201/4885LMNA 3576/4885DRD2 474/4885

“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.