SCHEMBL3661183

SCHEMBL3661183

Cc1cc(F)ccc1N1CCNCC1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.45
HTR7 P34969 1/20 0.43
HCAR1 Q9BXC0 1/20 0.40
HSD11B1 P28845 1/20 0.40
KDR P35968 1/20 0.39
G6PD P11413 1/20 0.38
SOS1 Q07889 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TACR1 P25103 1/20 0.38
TDO2 P48775 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
PARP1 P09874 2/20 0.37

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
Hydrochloric Acid SCHEMBL5913607 0.98 P2RX7 (0.44) P2RX7HTR7HCAR1HSD11B1KDR
SCHEMBL8307179 0.86 HSD17B10 (0.44) P2RX7HTR7G6PDSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2366300 0.85 HTR1A (0.45) P2RX7HTR7G6PDSLC6A2SLC6A4
SCHEMBL1583742 0.84 SLC6A2 (0.45) P2RX7HSD11B1KDRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1583930 0.83 SLC6A2 (0.44) P2RX7HSD11B1KDRSLC6A2SLC6A4
SCHEMBL3654179 0.82 P2RX7 (0.52) P2RX7HSD11B1SLC6A2SLC6A4SLC6A3
SCHEMBL1583680 0.81 P2RX7 (0.42) P2RX7HSD11B1KDRSLC6A2SLC6A4
SCHEMBL8306413 0.81 HTR1A (0.39) HTR7HSD11B1SOS1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5913821 0.81 SLC6A2 (0.39) P2RX7HSD11B1KDRSOS1SLC6A2
Hydrochloric Acid SCHEMBL1583969 0.80 P2RX7 (0.41) P2RX7HSD11B1KDRSLC6A2SLC6A4

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 1/4885HTR7 35/4885HCAR1 43/4885

“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.