SCHEMBL2170927

SCHEMBL2170927

Cc1ccc(-c2cc(C(=O)NC(C)C)cc(N3CC(=O)NC3=O)c2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.51
P2RX2 Q9UBL9 5/20 0.51
GABRA5 P31644 1/20 0.40
WDR5 P61964 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
KDM1A O60341 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL16510107 0.74 P2RX3 (0.45) P2RX3P2RX2GABRA5KDM1AHDAC1
SCHEMBL3063194 0.73 HDAC1 (0.47) P2RX3P2RX2GABRA5KDM1AHDAC1
SCHEMBL13092863 0.73 P2RX3 (0.44) P2RX3P2RX2GABRA5KDM1AHDAC1
SCHEMBL3068683 0.73 HDAC1 (0.46) P2RX3P2RX2GABRA5KDM1AHDAC1
SCHEMBL13092869 0.72 GABRA5 (0.42) P2RX3P2RX2GABRA5KDM1AHDAC1
SCHEMBL13092867 0.71 P2RX3 (0.42) P2RX3P2RX2GABRA5KDM1AHDAC1
SCHEMBL13092857 0.71 P2RX3 (0.42) P2RX3P2RX2GABRA5WDR5KDM1A
SCHEMBL13092865 0.71 P2RX3 (0.44) P2RX3P2RX2GABRA5KDM1AHDAC1
SCHEMBL3069019 0.70 P2RX3 (0.44) P2RX3P2RX2GABRA5
SCHEMBL12962962 0.70 P2RX3 (0.42) P2RX3P2RX2GABRA5KDM1AHDAC1

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
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US claimed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 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 (2 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B P2RX3 207/4885P2RX2 240/4885GABRA5 635/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B P2RX3 219/4885P2RX2 259/4885GABRA5 890/4885

“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.