SCHEMBL4604677

SCHEMBL4604677

Cn1nnnc1-c1cc(N)cc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
HTT P42858 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL4606149 0.86 ATAD2 (0.51) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL583983 0.84 NPC1 (0.47) SMN1; SMN2ATAD2CA12CA1CA2
SCHEMBL4603388 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4605870 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4620471 0.74 HTT (0.35) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1278770 0.74 CA12 (0.45) ATAD2CA12CA1CA2CA9
SCHEMBL8122251 0.74 CA12 (0.45) ATAD2CA12CA1CA2CA9
SCHEMBL584093 0.72 SMN1; SMN2 (0.56) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2687188 0.71 CCNC (0.44) ATAD2CA12CA1CA2CA9
SCHEMBL583651 0.69 SMN1; SMN2 (0.53) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8

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-20080306067-A1 Modulators of Chemokine Receptor Activity WEIGAND KLAUS 2008-12-11 US disclosed
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 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-20080306067-A1 Modulators of Chemokine Receptor Activity CCR3, CCR1, CCR4 SMN1; SMN2 4305/4885ABCC9 1813/4885ABCC8 1892/4885

“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.