SCHEMBL6318100

SCHEMBL6318100

CNC1CCN(C(=O)O)C1c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGA4 P13612 1/20 0.38
RIPK1 Q13546 2/20 0.38
BRD4 O60885 1/20 0.38
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 4/20 0.37
TRPV1 Q8NER1 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HDAC4 P56524 1/20 0.36
DRD4 P21917 1/20 0.36
MAOB P27338 1/20 0.35
HCRTR2 O43614 1/20 0.35
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL6318104 1.00 ITGB3 (0.38) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL6312120 0.92 ITGB3 (0.44) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5744526 0.80 RIPK1 (0.39) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5744524 0.80 RIPK1 (0.39) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL6310123 0.75 HSP90AA1 (0.44) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5747935 0.75 HSP90AA1 (0.44) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL2800961 0.75 BRD4 (0.40) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL5748305 0.75 TACR1 (0.42) RIPK1HCRTR2
SCHEMBL6310462 0.74 RIPK1 (0.50) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL6312878 0.74 RIPK1 (0.50) ITGB3ITGB1ITGAVITGA5ITGA4

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 ITGB3 1995/4885ITGB1 2243/4885ITGAV 1843/4885

“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.