SCHEMBL5337316

SCHEMBL5337316

Cc1ccc(CO)c(N2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.51
HTR3A P46098 15/20 0.51
ADRB1 P08588 5/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
ADRB2 P07550 2/20 0.46
HRH2 P25021 2/20 0.46
HTR1B P28222 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR7 P34969 2/20 0.46
HRH1 P35367 2/20 0.46
HTR5A P47898 2/20 0.46
HTR6 P50406 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 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
SCHEMBL14686716 0.87 HTR3A (0.51) HTR1AHTR3AADRB1CYP1A2CYP3A4
SCHEMBL18914541 0.81 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14356017 0.80 HTR1A (0.48) HTR1AHTR3AADRB1
Delfaprazine SCHEMBL635276 0.79 HTR6 (0.55) HTR1AHTR3AADRB1CYP1A2CYP3A4
SCHEMBL532401 0.78 HTR1A (0.55) HTR1AHTR3AADRB1CYP1A2CYP3A4
SCHEMBL6580002 0.78 ADRB1 (0.59) HTR1AHTR3AADRB1CYP1A2CYP3A4
Delfaprazine SCHEMBL2231436 0.78 HTR1A (0.56) HTR1AHTR3AADRB1CYP1A2CYP3A4
Delfaprazine SCHEMBL9656119 0.78 HTR6 (0.54) HTR1AHTR3AADRB1CYP1A2CYP3A4
Delfaprazine SCHEMBL10574629 0.78 HTR1A (0.56) HTR1AHTR3AADRB1CYP1A2CYP3A4
SCHEMBL29805912 0.78 HTR1A (0.62) HTR1AHTR3AADRB1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R HTR1A 77/4885HTR3A 105/4885ADRB1 64/4885

“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.