SCHEMBL339389

SCHEMBL339389

CCOC(=O)C1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 1/20 0.41
LGMN Q99538 1/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL339080 0.91 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2TDP1TSHR
SCHEMBL338580 0.85 TSHR (0.44) ALDH1A1TSHRMAPTKDM4ENPSR1
SCHEMBL338966 0.84 ALDH1A1 (0.46) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL1911466 0.83 FNTA (0.40) ALDH1A1HTTSMN1; SMN2MAPTKDM4E
SCHEMBL868597 0.82 MAPK1 (0.46) ALDH1A1HTTMAPTKDM4ENPSR1
SCHEMBL1911465 0.82 IDE (0.46) ALDH1A1HTTMAPTKDM4ENPSR1
SCHEMBL339823 0.82 TSHR (0.42) ALDH1A1HTTSMN1; SMN2TSHRMAPT
SCHEMBL338682 0.82 NPY1R (0.39) DPP4DPP8DPP9
SCHEMBL339494 0.82 SLC2A1 (0.43) SMN1; SMN2MAPTNPSR1HPGDDPP4
SCHEMBL340037 0.81 DPP4 (0.39) ALDH1A1HTTKDM4ENPSR1DPP4

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 ALDH1A1 480/4885HTT 3260/4885SMN1; SMN2 1926/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885HTT 3260/4885SMN1; SMN2 1926/4885

“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.