SCHEMBL6834962

SCHEMBL6834962

N#Cc1ccc(OCc2ccccc2)c(C(Cc2ccccc2)C(=O)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.50
MAOB P27338 3/20 0.45
PTGER1 P34995 1/20 0.45
GPR34 Q9UPC5 1/20 0.44
PPIA P62937 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL6323971 0.91 MRGPRX4 (0.49) MRGPRX4MAOBPTGER1GPR34PPIA
Hydrochloric Acid SCHEMBL6834965 0.89 MRGPRX4 (0.48) MRGPRX4MAOBPTGER1GPR34PPIA
SCHEMBL6330912 0.86 MRGPRX4 (0.48) MRGPRX4MAOBPTGER1GPR34PPIA
SCHEMBL7123429 0.85 MRGPRX4 (0.51) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL7114833 0.80 MRGPRX4 (0.53) MRGPRX4MAOBPTGER1GPR34PPIA
SCHEMBL6490916 0.80 MRGPRX4 (0.50) MRGPRX4MAOBPTGER1GPR34PPIA
SCHEMBL6330288 0.79 MAOB (0.50) MRGPRX4MAOBPTGER1GPR34
Hydrochloric Acid SCHEMBL7526696 0.79 MRGPRX4 (0.52) MRGPRX4MAOBPTGER1GPR34PPIA
SCHEMBL7117529 0.77 MRGPRX4 (0.53) MRGPRX4MAOBPTGER1PPIAFFAR4
SCHEMBL5098912 0.76 MRGPRX4 (0.54) MRGPRX4MAOBPTGER1PPIAFFAR1

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-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 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-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 MRGPRX4 2054/4885MAOB 417/4885PTGER1 226/4885

“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.