SCHEMBL3758109

SCHEMBL3758109

Cc1ccccc1N(CCNC(=O)O)C(=O)CBr

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP9 P14780 1/20 0.35

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
SCHEMBL3655880 0.82 MMP9 (0.55) TP53ALDH1A1KMT2ALMNANPSR1
SCHEMBL3652452 0.72 TRPM8 (0.42) TP53ALDH1A1TRPM8MEN1KMT2A
SCHEMBL11709815 0.72 TRPM8 (0.57) TP53ALDH1A1TRPM8MEN1KMT2A
SCHEMBL9234594 0.71 TRPM8 (0.45) TP53ALDH1A1TRPM8MEN1KMT2A
SCHEMBL9212885 0.70 TP53 (0.64) TP53ALDH1A1TRPM8MEN1KMT2A
SCHEMBL23798915 0.69 TRPM8 (0.45) TP53ALDH1A1TRPM8MEN1KMT2A
SCHEMBL11618036 0.69 ALDH1A1 (0.68) TP53ALDH1A1TRPM8MEN1KMT2A
SCHEMBL9212188 0.69 TP53 (0.67) TP53ALDH1A1TRPM8MEN1KMT2A
SCHEMBL15333351 0.69 MTNR1A (0.38) MEN1KMT2ALMNAMTNR1AMTNR1B
SCHEMBL30957369 0.67 TP53 (0.61) TP53ALDH1A1TRPM8MEN1KMT2A

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-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-12-09 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-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX3, P2RX2 TP53 3437/4885ALDH1A1 3763/4885TRPM8 167/4885

“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.