SCHEMBL21729155

SCHEMBL21729155

O=c1[nH]c(CN2CCOc3ccccc32)no1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
GRM5 P41594 1/20 0.42
TSHR P16473 5/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NOTUM Q6P988 1/20 0.39
AKT1 P31749 1/20 0.39
AR P10275 1/20 0.38
SCD5 Q86SK9 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
PLA2G2A P14555 2/20 0.36

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
SCHEMBL1736747 0.74 ALOX15 (0.46) KMT2AGRM5TSHRHDAC1HDAC6
SCHEMBL9147970 0.71 TSHR (0.58) KMT2AGRM5TSHRHDAC1HDAC6
SCHEMBL23882024 0.71 TUBB4A (0.52) KMT2ATSHRALDH1A1MAPT
SCHEMBL20551422 0.70 TSHR (0.50) KMT2AGRM5TSHRHDAC1HDAC6
SCHEMBL12405541 0.69 GRM5 (0.47) KMT2AGRM5TSHRHDAC1HDAC6
SCHEMBL20553725 0.69 TSHR (0.46) KMT2AGRM5TSHRHDAC1HDAC6
SCHEMBL8204782 0.69 KMT2A (0.42) KMT2AGRM5TSHRHDAC1HDAC6
SCHEMBL3526671 0.68 GRM5 (0.46) KMT2AGRM5TSHRHDAC1HDAC6
SCHEMBL8209200 0.68 TAAR1 (0.61) KMT2AGRM5TSHR
SCHEMBL1555164 0.68 KMT2A (0.55) KMT2AGRM5TSHRPOLBALDH1A1

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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS BREYE THERAPEUTICS APS (DK) 2020-02-20 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-20200055831-A1 HETEROCYCLIC P2X7 ANTAGONISTS P2RY1, P2RX1, P2RX3 KMT2A 3531/4885GRM5 568/4885TSHR 788/4885

“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.