SCHEMBL5089104

SCHEMBL5089104

C=CCc1cc(C#N)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MRGPRX4 Q96LA9 6/20 0.47
PTGER1 P34995 1/20 0.44
HTR1A P08908 2/20 0.41
DRD2 P14416 1/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
PPIA P62937 1/20 0.39

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
SCHEMBL1978691 0.82 MAOB (0.55) MAOBMRGPRX4PTGER1HTR1ADRD2
SCHEMBL8676493 0.82 MAOB (0.55) MAOBMRGPRX4PTGER1HTR1ADRD2
SCHEMBL6554874 0.82 MAOB (0.55) MAOBMRGPRX4PTGER1HTR1ADRD2
SCHEMBL6212565 0.82 MAOB (0.55) MAOBMRGPRX4PTGER1HTR1ADRD2
SCHEMBL8409660 0.82 HTR1A (0.59) MAOBMRGPRX4PTGER1HTR1ADRD2
SCHEMBL19511614 0.81 MAOB (0.54) MAOBMRGPRX4PTGER1GABRG2GABRB3
SCHEMBL1400322 0.80 MAOB (0.53) MAOBMRGPRX4PTGER1HTR1ADRD2
SCHEMBL18169335 0.79 L3MBTL1 (0.48) MRGPRX4HTR1ADRD2ALDH1A1GAA
SCHEMBL11707797 0.79 CCR5 (0.58) PTGER1ALDH1A1
SCHEMBL5089130 0.78 MRGPRX4 (0.53) MAOBMRGPRX4PTGER1PPIAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
EP-1370540-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-17 EP disclosed
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002072558-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 WO disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed
EP-1206446-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 2002-05-22 EP disclosed
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
WO-2001010823-A1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-15 WO disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 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 (3 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 MAOB 743/4885MRGPRX4 2438/4885PTGER1 299/4885
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 MAOB 164/4885MRGPRX4 1925/4885PTGER1 218/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 MAOB 1337/4885MRGPRX4 3149/4885PTGER1 217/4885

“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.