SCHEMBL2709362

SCHEMBL2709362

CCOC(=O)c1ccc2oc(C3CCN(C(=O)OCc4ccccc4)CC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
LMNA P02545 6/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.49
HTR2B P41595 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2710063 0.92 LMNA (0.52) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL2711779 0.88 TP53 (0.53) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL9372397 0.84 RAB9A (0.61) NPC1RAB9AMAPT
SCHEMBL2711768 0.84 LMNA (0.57) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL2707092 0.84 LMNA (0.48) NPC1RAB9ALMNAPOLBHTR2B
SCHEMBL14046670 0.83 LMNA (0.51) LMNAMAPTPOLBHTR2BTHRB
SCHEMBL2709553 0.82 CETP (0.48) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL2856519 0.79 LMNA (0.57) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL2860117 0.79 SMN1; SMN2 (0.53) NPC1RAB9ALMNAMAPTPOLB
SCHEMBL20135500 0.78 SMN1; SMN2 (0.52) NPC1RAB9ALMNAPOLBSMN1; SMN2

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 NPC1 2036/4885RAB9A 3301/4885LMNA 4272/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 NPC1 2036/4885RAB9A 3301/4885LMNA 4272/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 NPC1 1175/4885RAB9A 3567/4885LMNA 4479/4885

“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.