SCHEMBL2708421

SCHEMBL2708421

N#Cc1ccc2sc(N3CCNCC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
SCN4A P35499 2/20 0.49
SCN9A Q15858 2/20 0.49
HTR6 P50406 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 3/20 0.45
HRH4 Q9H3N8 1/20 0.45
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL2712309 0.89 SCN4A (0.58) SCN4ASCN9ADRD2DRD3HRH3
SCHEMBL16264541 0.85 SMN1; SMN2 (0.59) DPP4HRH3MAPTLMNATP53
SCHEMBL6125334 0.85 DPP4 (0.48) DPP4HTR6HRH3HRH4KMT2A
SCHEMBL3468828 0.82 DPP4 (0.46) DPP4HRH3KMT2AMAPTNPSR1
SCHEMBL20644553 0.81 RAB9A (0.54) DPP4HRH3KMT2AMAPTNPSR1
SCHEMBL8039956 0.80 AR (0.55) SCN4ASCN9AHTR6HRH3MAPT
SCHEMBL17275047 0.80 RAB9A (0.58) SCN4ASCN9AHTR6MAPTLMNA
SCHEMBL20600096 0.80 SCN4A (0.51) SCN4ASCN9AHTR6MAPTNPSR1
SCHEMBL4056087 0.80 NPC1 (0.57) SCN4ASCN9AHTR6MAPTNPSR1
SCHEMBL14896148 0.80 DPP4 (0.41) DPP4SCN4ASCN9AHTR6DRD2

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 DPP4 1/4885SCN4A 684/4885SCN9A 2186/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885SCN4A 684/4885SCN9A 2186/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 DPP4 1/4885SCN4A 993/4885SCN9A 2853/4885

“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.