SCHEMBL6555869

SCHEMBL6555869

N#Cc1ccc(OCc2ccccc2)c(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
GRM5 P41594 2/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MRGPRX4 Q96LA9 4/20 0.43
PTGER1 P34995 1/20 0.43
CASP3 P42574 1/20 0.42
KMT2A Q03164 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL10927207 0.81 ENPP2 (0.48) RXFP1CASP3KMT2AADRA1DADRA1A
SCHEMBL1978691 0.79 MAOB (0.55) MAOBPDCD1CD274MRGPRX4PTGER1
SCHEMBL8409660 0.77 HTR1A (0.59) MAOBMRGPRX4PTGER1ALDH1A1
SCHEMBL8676493 0.77 MAOB (0.55) MAOBMRGPRX4PTGER1ALDH1A1PTGDR2
SCHEMBL6554874 0.77 MAOB (0.55) MAOBMRGPRX4PTGER1ALDH1A1PTGDR2
SCHEMBL6212565 0.77 MAOB (0.55) MAOBMRGPRX4PTGER1
SCHEMBL5089130 0.76 MRGPRX4 (0.53) MAOBMRGPRX4PTGER1PTGDR2
SCHEMBL7894114 0.76 ADRA1D (0.43) RXFP1CASP3KMT2AADRA1DADRA1A
SCHEMBL5901031 0.75 RXFP1 (0.53) MAOBRXFP1CASP3KMT2AADRA1D
Hydrochloric Acid SCHEMBL5098921 0.75 MRGPRX4 (0.52) MAOBMRGPRX4PTGER1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 MAOB 743/4885GRM5 2870/4885PDCD1 3745/4885
US-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 MAOB 815/4885GRM5 1584/4885PDCD1 3127/4885

“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.