SCHEMBL10145346

SCHEMBL10145346

CNCC1Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.57
HRH1 P35367 5/20 0.57
SLC6A2 P23975 6/20 0.48
SLC6A4 P31645 6/20 0.48
SLC6A3 Q01959 5/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 3/20 0.48
KCNH2 Q12809 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR2C P28335 4/20 0.42
CYP19A1 P11511 1/20 0.42
IDO1 P14902 1/20 0.42
ADRA2A P08913 1/20 0.42
HTR2B P41595 1/20 0.42
DRD3 P35462 1/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39

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
SCHEMBL9567984 0.86 ADRA1D (0.52) HTR2AHRH1CYP19A1MTNR1AMTNR1B
SCHEMBL13291785 0.78 MCHR1 (0.39) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL16181821 0.78 MTNR1A (0.67) HTR2AHRH1SLC6A2SLC6A4SLC6A3
Dimethylamine SCHEMBL6990432 0.77 DRD3 (0.44) HTR2AHRH1CYP19A1IDO1ADRA2A
SCHEMBL14442999 0.77 HTR2C (0.47) HTR2AHRH1HTR2CCYP19A1IDO1
SCHEMBL3442489 0.77 PSEN1 (0.38) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL9016163 0.75 HTR2A (0.62) HTR2AHTR2C
SCHEMBL7281450 0.74 MTNR1A (0.68) DRD3MTNR1AMTNR1B
SCHEMBL12851335 0.74 HTR2A (0.41) HTR2AHRH1SLC6A2SLC6A4SLC6A3
SCHEMBL2929686 0.73 DRD3 (0.48) HTR2ACYP19A1IDO1ADRA2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 HTR2A 48/4885HRH1 91/4885SLC6A2 2902/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 HTR2A 43/4885HRH1 88/4885SLC6A2 2164/4885

“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.