SCHEMBL2788511

SCHEMBL2788511

COc1ccccc1C(C(=O)Nc1ccccc1)N(CCc1c[nH]c2ccccc12)C(=O)CCN

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
MAPT P10636 6/20 0.48
HPGD P15428 1/20 0.48
MC5R P33032 5/20 0.47
MC3R P41968 4/20 0.47
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MC4R P32245 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2787635 0.90 MAPT (0.47) CDK4CCND1MAPTHPGDKMT2A
SCHEMBL9943267 0.90 MC5R (0.49) CDK4CCND1MAPTMC5RMC3R
SCHEMBL9943282 0.88 MC5R (0.47) CDK4CCND1MAPTMC5RMC3R
SCHEMBL9943439 0.88 MC5R (0.47) CDK4CCND1MAPTMC5RMC3R
SCHEMBL2786285 0.87 KMT2A (0.47) CDK4CCND1MAPTMC5RMC3R
SCHEMBL2787985 0.83 MC5R (0.43) CDK4CCND1MAPTMC5RMC3R
SCHEMBL2789272 0.83 GOT1 (0.50) CDK4CCND1MAPTMC5RMC3R
SCHEMBL9943264 0.83 GOT1 (0.50) CDK4CCND1MAPTMC5RMC3R
SCHEMBL9943315 0.83 GOT1 (0.44) CDK4CCND1MAPTMC5RMC3R
SCHEMBL9943323 0.83 GOT1 (0.44) CDK4CCND1MAPTMC5RMC3R

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
EP-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP claimed
EP-2099815-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS Acure Pharma AB (SE) 2009-09-16 EP claimed
WO-2008058679-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ACURE PHARMA AB (SE) 2008-05-22 WO claimed
EP-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 EP disclosed
US-20100098629-A1 Novel Amides Acting on the Adenosine Receptors ACURE PHARMA AB (SE) 2010-04-22 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-20100098629-A1 Novel Amides Acting on the Adenosine Receptors ADORA1, ADORA3, ADORA2B CDK4 3498/4885CCND1 2505/4885MAPT 4617/4885

“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.