SCHEMBL6408330

SCHEMBL6408330

COc1ccc(N2CCN(c3cccc(F)c3)C2=O)cc1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.68
HTR2B P41595 7/20 0.68
HTR2A P28223 4/20 0.62
MET P08581 1/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
RELA Q04206 1/20 0.41
HSD11B1 P28845 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
SCHEMBL6410260 0.87 HTR2C (0.57) HTR2CHTR2BHTR2AMETKMT2A
SCHEMBL6415389 0.85 HTR2C (0.52) HTR2CHTR2BHTR2AMETPOLB
SCHEMBL6410238 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6414662 0.78 HTR2C (0.72) HTR2CHTR2BHTR2APOLBKMT2A
SCHEMBL6415386 0.78 HTR2C (0.61) HTR2CHTR2BHTR2APOLBKMT2A
SCHEMBL6415416 0.77 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6414633 0.77 HTR2C (0.62) HTR2CHTR2BHTR2AKMT2AMEN1
SCHEMBL6408486 0.76 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL6414146 0.76 HTR2C (0.74) HTR2CHTR2BHTR2A
SCHEMBL6417254 0.74 HTR2C (0.71) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
US-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
EP-1465630-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2004-10-13 EP disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
WO-2003057220-A1 CYCLIC UREA DERIVATIVES WITH 5-HT2C RECEPTOR ACTIVITY GLAXO GROUP LIMITED (GB) 2003-07-17 WO disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 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-20050154028-A1 Cyclic urea derivatives with 5-ht2c receptor activity HTR2C, HTR3C, HTR5A HTR2C 1/4885HTR2B 28/4885HTR2A 30/4885
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB HTR2C 3932/4885HTR2B 4017/4885HTR2A 4569/4885

“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.