SCHEMBL414239

SCHEMBL414239

CCC(=O)N1CCCCCCCC(CC)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA7 P36544 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL19240729 0.98 EPHX2 (0.45) EPHX2MEN1KMT2AHSD11B1SMN1; SMN2
SCHEMBL13686205 0.93 MEN1 (0.46) EPHX2MEN1KMT2AHSD11B1SMN1; SMN2
SCHEMBL16015437 0.85 CHRNB2 (0.46) EPHX2MEN1KMT2ACHRNB2CHRNA3
SCHEMBL25633195 0.85 CHRNB2 (0.46) EPHX2MEN1KMT2ACHRNB2CHRNA3
SCHEMBL19229738 0.82 MEN1 (0.41) EPHX2MEN1KMT2AHSD11B1SMN1; SMN2
SCHEMBL18082566 0.81 BACE1 (0.47) EPHX2HSD11B1ALDH1A1KDM4E
SCHEMBL5135693 0.81 EPHX2 (0.48) EPHX2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL21581035 0.81 POLB (0.45) EPHX2MEN1KMT2AHSD11B1SMN1; SMN2
SCHEMBL24182540 0.79 ALDH1A1 (0.65) MEN1KMT2AHSD11B1SMN1; SMN2HPGD
SCHEMBL20937675 0.79 MEN1 (0.47) EPHX2MEN1KMT2AHSD11B1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 EPHX2 226/4885MEN1 2424/4885KMT2A 2202/4885

“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.