SCHEMBL339105

SCHEMBL339105

CC1CN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 1/20 0.35
DPP4 P27487 6/20 0.35
DPP8 Q6V1X1 3/20 0.35
EIF2AK4 Q9P2K8 4/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
AQP1 P29972 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL8232735 0.88
SCHEMBL340037 0.83 DPP4 (0.39) KDM4EDPP4DPP8ALDH1A1NPSR1
SCHEMBL339324 0.83 ALDH1A1 (0.39) TDP1KDM4EKMT2ASMN1; SMN2GAA
SCHEMBL339127 0.83 DPP4 (0.43) KDM4EKMT2ASMN1; SMN2GAAHPGD
SCHEMBL338785 0.83 DPP4 (0.39) TDP1KDM4EDPP4DPP8ALDH1A1
SCHEMBL339424 0.81 DPP4 (0.43) DPP4DPP8
SCHEMBL339235 0.81 DPP4 (0.43) DPP4DPP8
SCHEMBL338682 0.81 NPY1R (0.39) DPP4DPP8
SCHEMBL1911441 0.79 DPP4 (0.33) DPP4DPP8
SCHEMBL1911442 0.79 DPP4 (0.34) DPP4DPP8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC TDP1 3650/4885KDM4E 3759/4885KMT2A 4257/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC TDP1 3650/4885KDM4E 3759/4885KMT2A 4257/4885

“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.