SCHEMBL6323971

SCHEMBL6323971

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.49
GPR34 Q9UPC5 1/20 0.47
MAOB P27338 3/20 0.47
PTGER1 P34995 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPIA P62937 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
XDH P47989 1/20 0.43
SGMS2 Q8NHU3 1/20 0.41

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
Hydrochloric Acid SCHEMBL6834965 0.99 MRGPRX4 (0.48) MRGPRX4GPR34MAOBPTGER1FFAR1
SCHEMBL6834962 0.91 MRGPRX4 (0.50) MRGPRX4GPR34MAOBPTGER1FFAR1
SCHEMBL6330912 0.89 MRGPRX4 (0.48) MRGPRX4GPR34MAOBPTGER1FFAR1
SCHEMBL7114833 0.84 MRGPRX4 (0.53) MRGPRX4GPR34MAOBPTGER1FFAR1
SCHEMBL6490916 0.84 MRGPRX4 (0.50) MRGPRX4GPR34MAOBPTGER1FFAR1
SCHEMBL2167339 0.84 LRRK2 (0.47) PTGER1
SCHEMBL2167940 0.84 LRRK2 (0.47) PTGER1
SCHEMBL27563218 0.84 LRRK2 (0.47) PTGER1
Hydrochloric Acid SCHEMBL7526696 0.83 MRGPRX4 (0.52) MRGPRX4GPR34MAOBPTGER1FFAR1
SCHEMBL6330288 0.81 MAOB (0.50) MRGPRX4GPR34MAOBPTGER1SGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
US-6838565-B2 Substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-04 US disclosed
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM (DE) 2004-07-15 US disclosed
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
WO-2004013115-A2 CARBOXAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS____ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-12 WO disclosed
WO-2004013128-A1 NOVEL SUBSTITUTED BENZAMIDES PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM (DE) 2004-02-12 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 (4 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB MRGPRX4 74/4885GPR34 67/4885MAOB 1185/4885
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 MRGPRX4 2604/4885GPR34 3975/4885MAOB 445/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 MRGPRX4 822/4885GPR34 1876/4885MAOB 78/4885
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 MRGPRX4 2054/4885GPR34 2284/4885MAOB 417/4885

“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.