SCHEMBL4558787

SCHEMBL4558787

COC(C(=O)Nc1ccccc1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
OPRD1 P41143 5/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4559889 0.86 ALDH1A1 (0.50) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL4559547 0.80 POLB (0.56) POLBOPRD1CYP1A2CYP2D6ALDH1A1
SCHEMBL5488766 0.79 OPRD1 (0.38) OPRD1MEN1KMT2A
SCHEMBL4557808 0.78 POLB (0.55) POLBOPRD1CYP1A2CYP2D6ALDH1A1
SCHEMBL8475563 0.78 POLB (0.55) POLBOPRD1CYP1A2CYP2D6ALDH1A1
SCHEMBL3624302 0.78 OPRD1 (0.52) OPRD1CYP2D6HSD17B10ALDH1A1MEN1
SCHEMBL4558588 0.78 POLB (0.55) POLBOPRD1CYP1A2CYP2D6ALDH1A1
Hydrochloric Acid SCHEMBL4974751 0.77 OPRD1 (0.38) POLBOPRD1MEN1KMT2A
SCHEMBL4559234 0.74 POLB (0.50) POLBOPRD1CYP1A2CYP2D6ALDH1A1
SCHEMBL4557392 0.72 OPRD1 (0.42) OPRD1MEN1KMT2AL3MBTL1

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
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP claimed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
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
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 POLB 1210/4885OPRD1 302/4885CYP1A2 402/4885

“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.