SCHEMBL4956504

SCHEMBL4956504

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C2CN(C(c3ccccc3)c3ccccc3)C2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CPT1A P50416 3/20 0.42
CPT2 P23786 2/20 0.42
DPP4 P27487 3/20 0.41
PREP P48147 3/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
USP30 Q70CQ3 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL4956510 1.00 TSHR (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4954592 0.81 DPP4 (0.53) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4954599 0.81 DPP4 (0.53) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL21163181 0.80 ALDH1A1 (0.50) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL8272731 0.79 ALDH1A1 (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4956804 0.79 DPP4 (0.55) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4956797 0.79 DPP4 (0.55) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4954721 0.78 ALDH1A1 (0.48) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4954716 0.78 ALDH1A1 (0.48) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL4954645 0.78 HCRTR1 (0.56) CPT1ACPT2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO 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 (1 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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 TSHR 808/4885ALDH1A1 435/4885LMNA 3035/4885

“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.