SCHEMBL6099343

SCHEMBL6099343

COc1ccc2ccn(CC(N)=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.60
MTNR1B P49286 6/20 0.60
HTR2C P28335 2/20 0.56
HTR2A P28223 1/20 0.56
MCL1 Q07820 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
HTR7 P34969 1/20 0.48
MAOA P21397 1/20 0.46

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
SCHEMBL16234635 0.87 MTNR1A (0.65) MTNR1AMTNR1BHTR2CHTR2AMCL1
SCHEMBL10222047 0.87 MTNR1A (0.61) MTNR1AMTNR1BHTR2CHTR2AMCL1
SCHEMBL11984620 0.84 MTNR1A (0.63) MTNR1AMTNR1BHTR2CHTR2AMCL1
SCHEMBL10165374 0.83 MTNR1A (0.57) MTNR1AMTNR1BHTR2CHTR2AMCL1
SCHEMBL10204441 0.80 MTNR1A (0.55) MTNR1AMTNR1BHTR2CHTR2AMCL1
SCHEMBL3353214 0.78 LMNA (0.44) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL980885 0.78 HTR2C (0.65) MTNR1AMTNR1BHTR2CHTR2AMCL1
SCHEMBL2006476 0.77 KMO (0.61) HTR2CHTR2AMCL1HTR7KDM4E
SCHEMBL31177216 0.77 HTR2C (0.55) HTR2CHTR2AHTR7KDM4EALDH1A1
SCHEMBL29958565 0.77 KMO (0.61) HTR2CHTR2AMCL1HTR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 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 (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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF MTNR1A 274/4885MTNR1B 241/4885HTR2C 984/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF MTNR1A 286/4885MTNR1B 278/4885HTR2C 1108/4885

“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.