SCHEMBL10145890

SCHEMBL10145890

CNC(C)(C)COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.30

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
SCHEMBL21010740 0.79 NPSR1 (0.39) CYP2C19CYP1A2CYP3A4CYP2C9GRIN2D
SCHEMBL4136070 0.73 NPSR1 (0.34) CYP2C19CYP1A2CYP3A4CYP2C9NPSR1
SCHEMBL11635333 0.69 ALDH1A1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17571012 0.69 NPSR1 (0.34) CYP2C19CYP1A2CYP3A4CYP2C9NPSR1
SCHEMBL16448469 0.68 ALDH1A1 (0.38) CYP2C19CYP1A2CYP3A4CYP2C9NPSR1
SCHEMBL4135711 0.68 NPSR1 (0.32) CYP2C19CYP1A2CYP3A4CYP2C9NPSR1
SCHEMBL13447602 0.68 CYP1A2 (0.37) CYP2C19CYP1A2CYP3A4CYP2C9NPSR1
SCHEMBL270387 0.68 NPSR1 (0.43) CYP2C19CYP1A2CYP2C9GRIN2DGRIN3B
SCHEMBL4152881 0.67 NPSR1 (0.32) CYP2C19CYP1A2CYP3A4CYP2C9NPSR1
SCHEMBL13447601 0.67 CYP1A2 (0.35) CYP2C19CYP1A2CYP3A4CYP2C9NPSR1

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 6 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

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 CYP2C19 1513/4885CYP1A2 1037/4885CYP3A4 2230/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CYP2C19 1242/4885CYP1A2 991/4885CYP3A4 2220/4885

“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.