SCHEMBL2887323

SCHEMBL2887323

COc1cc[c]c(C2CCNC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.48
HTR2A P28223 3/20 0.41
PDE4B Q07343 1/20 0.41
HTR2B P41595 2/20 0.39
HTR6 P50406 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EED O75530 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1E P28566 1/20 0.38
HTR7 P34969 1/20 0.38
HTR3A P46098 1/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL6450175 0.82 HTR2C (0.38) HTR2CMEN1KMT2A
SCHEMBL10945046 0.79 PTGDR2 (0.38) HTR2CMEN1KMT2A
SCHEMBL9597736 0.78 PTGDR2 (0.40) HTR2C
SCHEMBL8049667 0.72 HTR2C (0.82) HTR2CHTR2APDE4BHTR2BHTR6
SCHEMBL1810242 0.72 HTR2C (0.82) HTR2CHTR2APDE4BHTR2BHTR6
SCHEMBL8032211 0.72 HTR2C (0.82) HTR2CHTR2APDE4BHTR2BHTR6
SCHEMBL7898068 0.71 HTR2C (0.60) HTR2CHTR2APDE4BHTR2B
SCHEMBL13698246 0.71 HTR2C (0.56) HTR2CHTR2APDE4BHTR2BHTR6
Hydrochloric Acid SCHEMBL4573066 0.71 HTR2C (0.82) HTR2CHTR2APDE4BHTR2BHTR6
SCHEMBL3552712 0.70 HTR3A (0.59) HTR2CHTR2APDE4BHTR2BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
WO-2005023253-A1 USE OF PDE4 INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS ALTANA PHARMA AG (DE) 2005-03-17 WO disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 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 (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-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 HTR2C 3809/4885HTR2A 3740/4885PDE4B 2/4885

“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.