SCHEMBL2711642

SCHEMBL2711642

N#Cc1ccc2oc(C3CCNCC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.56
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP30 Q70CQ3 4/20 0.45
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CETP P11597 6/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL31344798 0.86 RAB9A (0.48) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10267105 0.83 USP30 (0.47) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4712528 0.80 MPO (0.59) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29688673 0.80 MPO (0.59) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29892036 0.80 MPO (0.59) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL23411127 0.80 MPO (0.59) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14242768 0.80 MPO (0.59) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL373588 0.80 MPO (0.84) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2708939 0.80 MPO (0.59) MPORAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29891734 0.80 MPO (0.84) MPORAB9ANPC1ALDH1A1SMN1; 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 MPO 967/4885RAB9A 3301/4885NPC1 2036/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 MPO 967/4885RAB9A 3301/4885NPC1 2036/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 MPO 1025/4885RAB9A 3567/4885NPC1 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.