SCHEMBL4486515

SCHEMBL4486515

NC(=O)CN1CCN(CCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KCNH2 Q12809 1/20 0.60
SLC6A3 Q01959 1/20 0.58
SIGMAR1 Q99720 7/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR2A P28223 1/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
HSD11B1 P28845 1/20 0.51

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
SCHEMBL4485401 0.95 SLC6A3 (0.62) ALDH1A1MEN1KMT2AKCNH2SLC6A3
SCHEMBL6190342 0.90 SIGMAR1 (0.69) ALDH1A1SIGMAR1
SCHEMBL27138554 0.86 MEN1 (0.64) MEN1KMT2AKCNH2SLC6A3SIGMAR1
SCHEMBL21418234 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AKCNH2SIGMAR1POLB
SCHEMBL5524549 0.83 MEN1 (0.69) MEN1KMT2AKCNH2SLC6A3SIGMAR1
SCHEMBL3158860 0.83 ALDH1A1 (0.68) ALDH1A1KMT2AKCNH2SIGMAR1
SCHEMBL14407778 0.82 SLC6A3 (0.83) MEN1KMT2AKCNH2SLC6A3SIGMAR1
SCHEMBL6056974 0.82 SLC6A3 (0.83) MEN1KMT2AKCNH2SLC6A3SIGMAR1
SCHEMBL7264546 0.82 SLC6A3 (0.83) MEN1KMT2AKCNH2SLC6A3SIGMAR1
SCHEMBL13150782 0.82 SLC6A3 (0.83) MEN1KMT2AKCNH2SLC6A3SIGMAR1

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-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 US disclosed
CN-1620294-A Pyrimidine A2BSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2005-05-25 CN disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ALDH1A1 2146/4885MEN1 4340/4885KMT2A 2079/4885

“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.