SCHEMBL5747527

SCHEMBL5747527

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.50
UTS2R Q9UKP6 4/20 0.43
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
TACR1 P25103 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL5747529 1.00 RIPK1 (0.50) RIPK1UTS2RPKMPOLBDPP4
SCHEMBL5746789 0.83 HSP90AA1 (0.43) RIPK1UTS2RPKMDPP4PREP
SCHEMBL5746786 0.83 HSP90AA1 (0.43) RIPK1UTS2RPKMDPP4PREP
SCHEMBL5747606 0.80 RIPK1 (0.50) RIPK1POLBDPP4HSP90AA1HSP90AB1
SCHEMBL6310814 0.80 RIPK1 (0.50) RIPK1POLBDPP4HSP90AA1HSP90AB1
SCHEMBL5746649 0.80 RIPK1 (0.50) RIPK1POLBDPP4HSP90AA1HSP90AB1
SCHEMBL5746647 0.80 RIPK1 (0.50) RIPK1POLBDPP4HSP90AA1HSP90AB1
SCHEMBL5968844 0.78 RIPK1 (0.51) RIPK1POLBDPP4HSP90AA1HSP90AB1
SCHEMBL28087199 0.77 RIPK1 (0.50) RIPK1POLBDPP4HSP90AA1HSP90AB1
SCHEMBL5747318 0.77 RIPK1 (0.50) RIPK1POLBDPP4PRMT5WDR77

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 2280/4885UTS2R 603/4885PKM 713/4885

“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.