SCHEMBL5746649

SCHEMBL5746649

N[C@H]1CCCN(C(=O)O)[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.50
DPP4 P27487 4/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 2/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TACR1 P25103 1/20 0.39
SCD5 Q86SK9 3/20 0.39
SCD O00767 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
SCHEMBL6310814 1.00 RIPK1 (0.50) RIPK1DPP4DPP8DPP7HSP90AA1
SCHEMBL5746647 1.00 RIPK1 (0.50) RIPK1DPP4DPP8DPP7HSP90AA1
SCHEMBL5747606 1.00 RIPK1 (0.50) RIPK1DPP4DPP8DPP7HSP90AA1
SCHEMBL6828194 0.88 POLB (0.53) RIPK1DPP4DPP8DPP7POLB
SCHEMBL20958814 0.86 KMT2A (0.44) RIPK1DPP4DPP8DPP7SMN1; SMN2
SCHEMBL5968844 0.82 RIPK1 (0.51) RIPK1DPP4DPP8DPP7HSP90AA1
SCHEMBL5747935 0.81 HSP90AA1 (0.44) RIPK1DPP4DPP8HSP90AA1HSP90AB1
SCHEMBL6310123 0.81 HSP90AA1 (0.44) RIPK1DPP4DPP8HSP90AA1HSP90AB1
SCHEMBL28087199 0.81 RIPK1 (0.50) RIPK1DPP4DPP8DPP7HSP90AA1
SCHEMBL3376086 0.81 RIPK1 (0.51) RIPK1ALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP claimed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US claimed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO claimed
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 RIPK1 2280/4885DPP4 451/4885DPP8 587/4885

“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.