SCHEMBL2709110

SCHEMBL2709110

N#Cc1ccc2oc(N3CCNCC3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
HTR6 P50406 2/20 0.50
DPP4 P27487 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PIK3CA P42336 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CLK4 Q9HAZ1 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL24883385 0.89 HTR6 (0.50) PTGESHTR6DPP4DRD2DRD3
SCHEMBL30169682 0.89 HTR6 (0.50) PTGESHTR6DPP4DRD2DRD3
SCHEMBL24331245 0.86 FAAH (0.52) PTGESDPP4PIK3CA
SCHEMBL10268978 0.85 PTGES (0.48) PTGESDPP4HRH4HRH3
SCHEMBL3468777 0.82 DPP4 (0.57) PTGESDPP4HRH3
SCHEMBL6501249 0.81 HTR6 (0.53) HTR6GPR119TP53
SCHEMBL27435525 0.80 HTR6 (0.52) HTR6
SCHEMBL3101725 0.80 HTR3E (0.55) PTGESHTR6
Hydrochloric Acid SCHEMBL27077852 0.79 HTR6 (0.51) HTR6
SCHEMBL14432506 0.77 SOS1 (0.58) PTGESDRD2DRD3HRH3LMNA

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
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP 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 (3 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PTGES 625/4885HTR6 1369/4885DPP4 1/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 PTGES 625/4885HTR6 1369/4885DPP4 1/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 PTGES 735/4885HTR6 878/4885DPP4 1/4885

“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.