SCHEMBL2712342

SCHEMBL2712342

O=C(OCc1ccccc1)N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C19 P33261 2/20 0.46
CETP P11597 1/20 0.46
TRPC3 Q13507 2/20 0.46
TRPC7 Q9HCX4 2/20 0.46
CHRM4 P08173 1/20 0.45
UBE2M P61081 5/20 0.45
DCUN1D1 Q96GG9 5/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL2710739 0.85 KMT2A (0.60) SMN1; SMN2NPC1RAB9ACYP2C19CHRM4
SCHEMBL2707092 0.80 LMNA (0.48) SMN1; SMN2NPC1RAB9ACYP2C19CETP
SCHEMBL20135380 0.76 AADAT (0.58) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL20135566 0.75 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL14183926 0.74 DYRK1A (0.44) NPC1RAB9ACYP2C19UBE2MDCUN1D1
SCHEMBL8594128 0.73 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19TRPC3
SCHEMBL8858595 0.73 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19CETP
SCHEMBL23201424 0.73 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL8858614 0.73 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19CETP
SCHEMBL23201370 0.72 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 3114/4885NPC1 2036/4885RAB9A 3301/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 SMN1; SMN2 3114/4885NPC1 2036/4885RAB9A 3301/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 SMN1; SMN2 2487/4885NPC1 1175/4885RAB9A 3567/4885

“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.