SCHEMBL6312878

SCHEMBL6312878

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.50
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
POLB P06746 1/20 0.41
HCRTR2 O43614 7/20 0.40
TACR1 P25103 1/20 0.40
EPHX2 P34913 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGA4 P13612 1/20 0.39
DPP4 P27487 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
SCHEMBL5747316 1.00 RIPK1 (0.50) RIPK1PRMT5WDR77POLBHCRTR2
SCHEMBL6310462 1.00 RIPK1 (0.50) RIPK1PRMT5WDR77POLBHCRTR2
SCHEMBL5747318 1.00 RIPK1 (0.50) RIPK1PRMT5WDR77POLBHCRTR2
SCHEMBL6312120 0.83 ITGB3 (0.44) RIPK1PRMT5WDR77HCRTR2NPC1
SCHEMBL5968844 0.78 RIPK1 (0.51) RIPK1POLBSMN1; SMN2DPP4
SCHEMBL6310814 0.77 RIPK1 (0.50) RIPK1POLBTACR1EPHX2NPC1
SCHEMBL5747606 0.77 RIPK1 (0.50) RIPK1POLBTACR1EPHX2NPC1
SCHEMBL28087199 0.77 RIPK1 (0.50) RIPK1POLBEPHX2SMN1; SMN2DPP4
SCHEMBL5746649 0.77 RIPK1 (0.50) RIPK1POLBTACR1EPHX2NPC1
SCHEMBL5746647 0.77 RIPK1 (0.50) RIPK1POLBTACR1EPHX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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 (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 2280/4885PRMT5 2867/4885WDR77 2852/4885

“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.