SCHEMBL17889166

SCHEMBL17889166

CC(=O)Oc1ccc(CCNN2C(=O)C=CC2=O)cc1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.52
ADRB2 P07550 1/20 0.47
ADRA2A P08913 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
PTGS1 P23219 2/20 0.44
PTGS2 P35354 1/20 0.44
CCR5 P51681 6/20 0.44
CFD P00746 1/20 0.43
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL17814871 0.80 HSP90AA1 (0.65) TRPV1PTGS1PTGS2CCR5CFD
SCHEMBL8348726 0.79 ADRB2 (0.71) TRPV1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL178977 0.78 TRPV1 (0.57) TRPV1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL179002 0.77 TRPV1 (0.66) TRPV1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL2601976 0.77 TRPV1 (0.66) TRPV1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL15462092 0.76 TRPV1 (0.57) TRPV1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL14232961 0.75 TRPV1 (0.52) TRPV1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL14233243 0.75 TRPV1 (0.52) TRPV1ADRB2ADRA2ADRD2ADRA2C
SCHEMBL179009 0.75 TRPV1 (0.79) TRPV1ADRB2ADRA2ADRD2ADRA2C
Hydrochloric Acid SCHEMBL4119472 0.75 TRPV1 (0.63) TRPV1ADRB2ADRA2ADRD2ADRA2C

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-9540462-B2 Catechol-rich polymers from N-substituted maleimides MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-10 US disclosed
US-20160194415-A1 CATECHOL-RICH POLYMERS FROM N-SUBSTITUTED MALEIMIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-07-07 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-20160194415-A1 CATECHOL-RICH POLYMERS FROM N-SUBSTITUTED MALEIMIDES VIM, COMT, PNMT TRPV1 2088/4885ADRB2 3587/4885ADRA2A 3181/4885

“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.