SCHEMBL21392222

SCHEMBL21392222

COc1ccc2c(CC(CCN)C(=O)O)c[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MAPT P10636 3/20 0.51
HTR1A P08908 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
HTR6 P50406 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR7 P34969 1/20 0.47
HTR4 Q13639 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
BLM P54132 1/20 0.46

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
SCHEMBL26328524 0.87 MTNR1A (0.55) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL21392065 0.83 HTR2A (0.58) HTR2AMEN1KMT2AMAPTHTR1A
SCHEMBL1460676 0.83 KMT2A (0.61) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL31370348 0.83 KMT2A (0.61) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL18029114 0.83 KMT2A (0.61) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL1460679 0.83 KMT2A (0.61) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL21392223 0.82 GPR84 (0.51) HTR2AMEN1KMT2AMAPTHTR1A
SCHEMBL24328257 0.82 MEN1 (0.58) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL28413745 0.82 SMN1; SMN2 (0.60) HTR2AMEN1KMT2AMTNR1AMTNR1B
SCHEMBL24328915 0.82 SMN1; SMN2 (0.60) HTR2AMEN1KMT2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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 (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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 HTR2A 4016/4885MEN1 4390/4885KMT2A 3004/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 HTR2A 4016/4885MEN1 4390/4885KMT2A 3004/4885

“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.