SCHEMBL3658673

SCHEMBL3658673

Cc1c(Br)cccc1N1CCNCC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
ADRB1 P08588 2/20 0.40
JAK2 O60674 3/20 0.36
BTK Q06187 3/20 0.36
SOS1 Q07889 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CXCR4 P61073 1/20 0.33

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
SCHEMBL23064632 0.84 MGLL (0.41) P2RX7ADRB1SLC6A2SLC6A4SLC6A3
SCHEMBL15873874 0.80 P2RX7 (0.44) P2RX7ADRB1JAK2BTK
SCHEMBL7093301 0.79 HTR2C (0.40) ADRB1SOS1HTR2AHTR2CHTR2B
SCHEMBL3653056 0.78 ADRB1 (0.54) P2RX7ADRB1HTR2AHTR2CHTR2B
SCHEMBL31176347 0.78 ADRB1 (0.54) P2RX7ADRB1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5913602 0.77 ADRB1 (0.53) P2RX7ADRB1HTR2AHTR2CHTR2B
SCHEMBL16197593 0.77 HSD17B10 (0.50) P2RX7
SCHEMBL123449 0.76 HSD17B10 (0.45) P2RX7JAK2BTK
SCHEMBL13664823 0.74 SLC6A2 (0.53) P2RX7ADRB1HTR2AHTR2CHTR2B
SCHEMBL3650828 0.74 HTR6 (0.58) P2RX7HTR2ACXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-12-09 US disclosed
EP-2212300-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009053459-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2009-04-30 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-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX3, P2RX2 P2RX7 1/4885ADRB1 629/4885JAK2 414/4885

“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.