SCHEMBL5616680

SCHEMBL5616680

CCC(=O)N(CCc1ccc(C(=O)OC)cc1)NCCC(O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
USP2 O75604 2/20 0.43
CHRM3 P20309 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA2C P18825 2/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
ADRA1A P35348 2/20 0.43
DRD3 P35462 2/20 0.43
HTR2B P41595 2/20 0.43
NR1I2 O75469 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL5982971 0.93 CYP3A4 (0.43) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL4937190 0.91 PTGER4 (0.51) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL4946083 0.85 HDAC1 (0.39) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL5982721 0.84 PTGER4 (0.51) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL4940816 0.82 PTGER4 (0.53) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL5982873 0.81 KDM4E (0.40) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL4944173 0.81 PTGER4 (0.51) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL5982965 0.77 CYP3A4 (0.48) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL5990886 0.75 PTGER4 (0.53) CYP3A4USP2CHRM3CYP1A2CYP2D6
SCHEMBL5982073 0.74 PTGER4 (0.51) CYP3A4USP2CHRM3CYP1A2CYP2D6

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-20070185191-A1 Hydrazide derivatives as prostaglandin receptors modulators APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 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-20070185191-A1 Hydrazide derivatives as prostaglandin receptors modulators PTGIR, HPGDS, PGF CYP3A4 698/4885USP2 3653/4885CHRM3 2509/4885

“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.