SCHEMBL4594597

SCHEMBL4594597

O=C(O)N(C1CC1)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
OPRD1 P41143 2/20 0.45
OPRL1 P41146 4/20 0.44
OPRM1 P35372 3/20 0.44
OPRK1 P41145 2/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
CCR5 P51681 1/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A9 P48067 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL6801641 0.85 LMNA (0.45) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL6801650 0.85 LMNA (0.45) OPRD1OPRM1OPRK1KMT2AMEN1
SCHEMBL4594424 0.81 CCR5 (0.42) ALDH1A1OPRD1OPRL1OPRM1OPRK1
SCHEMBL1221934 0.79 KMT2A (0.49) ALDH1A1OPRD1OPRL1OPRM1CCR5
SCHEMBL5074955 0.79 OPRD1 (0.52) ALDH1A1OPRD1OPRM1OPRK1CCR5
SCHEMBL72342 0.78 OPRM1 (0.46) ALDH1A1OPRD1OPRL1OPRM1OPRK1
SCHEMBL3317446 0.76 KMT2A (0.48) ALDH1A1OPRD1OPRL1OPRM1OPRK1
SCHEMBL13778878 0.75 KMT2A (0.50) ALDH1A1OPRD1CCR5KMT2ASLC6A9
SCHEMBL85386 0.73 ALDH1A1 (0.54) ALDH1A1OPRD1CNR1CNR2KMT2A
SCHEMBL2915912 0.73 OPRM1 (0.48) ALDH1A1OPRD1OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 ALDH1A1 1823/4885OPRD1 2093/4885OPRL1 462/4885

“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.