SCHEMBL4956356

SCHEMBL4956356

O=C(NCC1CNC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.59
CTSB P07858 2/20 0.59
CTSK P43235 2/20 0.59
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
OPRM1 P35372 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL5094284 0.89 NAMPT (0.63) CTSLCTSBCTSKGAAHPGD
SCHEMBL13325386 0.89 NAMPT (0.63) CTSLCTSBCTSKGAAHPGD
SCHEMBL13325381 0.89 NAMPT (0.63) CTSLCTSBCTSKGAAHPGD
SCHEMBL8719970 0.86 KMT2A (0.60) CTSLCTSBCTSKHPGDSMN1; SMN2
SCHEMBL2423748 0.86 KMT2A (0.60) CTSLCTSBCTSKHPGDSMN1; SMN2
SCHEMBL8719751 0.86 KMT2A (0.60) CTSLCTSBCTSKHPGDSMN1; SMN2
SCHEMBL2303341 0.85 HDAC3 (0.64) CTSLCTSBCTSKGAAHPGD
SCHEMBL3330915 0.85 SMN1; SMN2 (0.56) CTSLCTSBCTSKHPGDSMN1; SMN2
SCHEMBL8393362 0.82 SMN1; SMN2 (0.68) CTSLCTSBCTSKGAAHPGD
SCHEMBL8391563 0.82 SMN1; SMN2 (0.73) CTSLCTSBCTSKHPGDSMN1; SMN2

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-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 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 (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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSL 128/4885CTSB 486/4885CTSK 426/4885

“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.