SCHEMBL2708171

SCHEMBL2708171

O=C(OCc1ccccc1)N1CCC(c2nn(CCN3CCOCC3)c(=O)o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CYP2C19 P33261 1/20 0.49
▸ GRIN2B Q13224 9/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CYP2D6 P10635 4/20 0.45
▸ CYP2C9 P11712 4/20 0.45
▸ TRPV4 Q9HBA0 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ UTS2R Q9UKP6 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
SCHEMBL2711004 0.83 SMN1; SMN2 (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2709262 0.82 HTT (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2709349 0.80 GRIN2B (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13661466 0.78 MEN1 (0.67) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13661324 0.75 MEN1 (0.70) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13534595 0.75 MEN1 (0.57) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL14095609 0.74 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1337663 0.74 KMT2A (0.97) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2709584 0.74 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4281745 0.73 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 MEN1 3932/4885KMT2A 2648/4885NPSR1 377/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 MEN1 3932/4885KMT2A 2648/4885NPSR1 377/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 MEN1 3491/4885KMT2A 2673/4885NPSR1 294/4885

“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.

Send feedback