SCHEMBL4594424

SCHEMBL4594424

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
OPRD1 P41143 2/20 0.41
KDM4D Q6B0I6 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A9 P48067 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6794816 0.89 CHRM2 (0.43) CCR5KMT2AMEN1OPRD1OPRM1
SCHEMBL6794820 0.89 CHRM2 (0.43) CCR5KMT2AMEN1OPRD1OPRM1
SCHEMBL4704895 0.85 KDM4D (0.48) CCR5KMT2AMEN1OPRD1KDM4D
SCHEMBL4594597 0.81 ALDH1A1 (0.47) CCR5KMT2AMEN1OPRD1OPRM1
SCHEMBL6986421 0.80 HSD11B1 (0.52) CCR5KMT2AMEN1OPRD1ALDH1A1
SCHEMBL15626792 0.78 KMT2A (0.42) CCR5KMT2AMEN1OPRD1OPRM1
SCHEMBL13215262 0.77 KMT2A (0.43) CCR5KMT2AMEN1OPRD1ALDH1A1
SCHEMBL3317446 0.73 KMT2A (0.48) CCR5KMT2AMEN1OPRD1OPRM1
SCHEMBL5633504 0.73 SLC6A9 (0.43) CCR5KMT2AMEN1OPRD1KDM4D
SCHEMBL72342 0.73 OPRM1 (0.46) CCR5KMT2AMEN1OPRD1OPRM1

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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
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
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 CCR5 200/4885KMT2A 1030/4885MEN1 4068/4885

“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.