SCHEMBL2707902

SCHEMBL2707902

COC(=O)c1ccc2oc(C3CCNCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 4/20 0.51
MPO P05164 1/20 0.50
HDAC4 P56524 1/20 0.46
MAPT P10636 6/20 0.45
RAB9A P51151 5/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ROCK2 O75116 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 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
SCHEMBL2710818 0.87 MPO (0.47) SMN1; SMN2LMNAMPOHDAC4MAPT
SCHEMBL29502371 0.86 LMNA (0.49) SMN1; SMN2LMNAHDAC4MAPTRAB9A
SCHEMBL22849122 0.86 LMNA (0.49) SMN1; SMN2LMNAHDAC4MAPTRAB9A
SCHEMBL14183604 0.85 LMNA (0.57) SMN1; SMN2LMNAHDAC4MAPTRAB9A
SCHEMBL26352197 0.84 LMNA (0.49) SMN1; SMN2LMNAHDAC4MAPTRAB9A
SCHEMBL1121416 0.81 HDAC6 (0.57) SMN1; SMN2MAPTRAB9ATP53NPC1
SCHEMBL31759327 0.81 HDAC6 (0.51) SMN1; SMN2LMNAMPOHDAC4RAB9A
SCHEMBL29220384 0.80 TAAR1 (0.43) SMN1; SMN2LMNAMAPTRAB9ATP53
SCHEMBL2710707 0.79 MPO (0.55) SMN1; SMN2LMNAMPOMAPTRAB9A
SCHEMBL2708939 0.77 MPO (0.59) SMN1; SMN2MPOMAPTRAB9ATP53

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 SMN1; SMN2 3114/4885LMNA 4272/4885MPO 967/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SMN1; SMN2 3114/4885LMNA 4272/4885MPO 967/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 SMN1; SMN2 2487/4885LMNA 4479/4885MPO 1025/4885

“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.