SCHEMBL5881896

SCHEMBL5881896

COC(=O)Nc1ccc(NCC2CC2)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.57
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
KMT2A Q03164 2/20 0.40
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
TNIK Q9UKE5 1/20 0.39
NQO2 P16083 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13876936 0.94 PTGER4 (0.51) PTGER4ALDH1A1TP53AAK1
SCHEMBL10048477 0.92 PTGER4 (0.49) PTGER4KMT2AHPGDTSHRAAK1
SCHEMBL10048485 0.90 PTGER4 (0.47) PTGER4KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL5881733 0.86 PTGER4 (0.56) PTGER4LIPCLIPGPIK3C3ALDH1A1
SCHEMBL584389 0.81 PTGER4 (0.51) PTGER4LIPCLIPGPIK3C3ALDH1A1
SCHEMBL3970983 0.81 PTGER4 (0.50) PTGER4PIK3C3HPGDALDH1A1AAK1
SCHEMBL14523940 0.81 CHRM3 (0.43)
SCHEMBL14523949 0.81 CHRM3 (0.43)
SCHEMBL5881699 0.80 MAPT (0.48) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL3930758 0.79 PTGER4 (0.51) PTGER4KMT2ALIPCLIPGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 US disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 US disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 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-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 PTGER4 188/4885KCNQ3 488/4885KCNQ2 466/4885

“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.