SCHEMBL4388706

SCHEMBL4388706

CC(C)(C)C(C)(NC(=O)O)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A9 P48067 3/20 0.42
OPRD1 P41143 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CACNA2D1 P54289 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNA1C Q13936 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9968983 0.75 OPRM1 (0.48) KMT2AMEN1SLC6A9OPRD1OPRM1
SCHEMBL4396476 0.72 KMT2A (0.46) KMT2AMEN1LMNAGAAHTT
SCHEMBL3317446 0.71 KMT2A (0.48) KMT2AMEN1LMNAGAASLC6A9
SCHEMBL4793162 0.71 NPSR1 (0.50) KMT2AMEN1GAAHTTSLC6A9
SCHEMBL20594076 0.71 KMT2A (0.57) KMT2AMEN1LMNASLC6A9OPRD1
SCHEMBL1094296 0.70 KMT2A (0.44) KMT2AMEN1GAAHTTSLC6A9
SCHEMBL1744817 0.70 NPSR1 (0.49) KMT2AMEN1GAAHTTSLC6A9
SCHEMBL5074961 0.70 KMT2A (0.45) KMT2AMEN1LMNASLC6A9OPRD1
SCHEMBL1500543 0.69 KMT2A (0.43) KMT2AMEN1LMNAGAAHTT
SCHEMBL72964 0.69 CYP3A4 (0.49) KMT2AMEN1LMNASLC6A9OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 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 (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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 KMT2A 345/4885MEN1 3414/4885LMNA 4860/4885

“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.