SCHEMBL5844873

SCHEMBL5844873

Cc1cccc(CC2=COCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
IDO1 P14902 2/20 0.41
DAO P14920 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MPO P05164 1/20 0.37
SLC5A2 P31639 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL7900000 0.80 NPC1 (0.36) TAAR1IDO1DAOHRH3MEN1
SCHEMBL30000562 0.74 TAAR1 (0.60) TAAR1IDO1DAOHRH3SLC5A2
SCHEMBL1263547 0.74 TAAR1 (0.60) TAAR1IDO1DAOHRH3SLC5A2
SCHEMBL29459538 0.74 TAAR1 (0.60) TAAR1IDO1DAOHRH3SLC5A2
SCHEMBL8093804 0.71 TAAR1 (0.56) TAAR1IDO1DAOHRH3SLC5A2
SCHEMBL2938820 0.69 CALM1 (0.57) TAAR1IDO1DAOACHEMEN1
SCHEMBL30674456 0.69 CALM1 (0.57) TAAR1IDO1DAOACHEMEN1
SCHEMBL2094961 0.68 TAAR1 (0.48) TAAR1IDO1DAOHRH3MPO
SCHEMBL11263075 0.68 MPO (0.44) TAAR1IDO1DAOHRH3MPO
SCHEMBL21575619 0.68 CTNNB1 (0.51) NPC1RAB9ASMN1; SMN2

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-7132539-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2006-11-07 US disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP disclosed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US disclosed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 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 (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-20050010031-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R TAAR1 222/4885IDO1 2415/4885DAO 3466/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R TAAR1 223/4885IDO1 1962/4885DAO 3545/4885

“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.