SCHEMBL2709262

SCHEMBL2709262

COC(=O)Cn1nc(C2CCN(C(=O)OCc3ccccc3)CC2)oc1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ GRIN2B Q13224 11/20 0.48
▸ CYP2D6 P10635 4/20 0.48
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 1/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ PDE4B Q07343 1/20 0.42

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 0.84 SMN1; SMN2 (0.55) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL2708171 0.82 MEN1 (0.55) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL2709349 0.81 GRIN2B (0.55) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL2899076 0.75 SMN1; SMN2 (0.57) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL2709584 0.74 SMN1; SMN2 (0.56) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL2709521 0.74 SMN1; SMN2 (0.55) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL20135500 0.73 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL13533056 0.73 TP53 (0.53) HTT
SCHEMBL2527774 0.73 HTT (0.67) HTTSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL6747802 0.73 HTT (0.61) HTTSMN1; SMN2NPC1RAB9AGRIN2B

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 HTT 3330/4885SMN1; SMN2 3114/4885NPC1 2036/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HTT 3330/4885SMN1; SMN2 3114/4885NPC1 2036/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 HTT 3207/4885SMN1; SMN2 2487/4885NPC1 1175/4885

“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.

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