SCHEMBL2600358

SCHEMBL2600358

CCC(CC)C(=O)N1CCC(N(C)C(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CCR5 P51681 3/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.36
NPY5R Q15761 2/20 0.36
CBX7 O95931 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
ASAH1 Q13510 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL2600348 0.91 NPY5R (0.43) SMN1; SMN2ALDH1A1CCR5NPY5RMAPT
SCHEMBL2600343 0.88 MAPT (0.46) ALDH1A1CCR5LMNAHTTNPY5R
SCHEMBL2600346 0.88 NPY5R (0.43) SMN1; SMN2ALDH1A1CCR5USP2LMNA
SCHEMBL2600330 0.86 NPY5R (0.45) SMN1; SMN2ALDH1A1CCR5HTTNPY5R
SCHEMBL2600345 0.86 CCR5 (0.39) SMN1; SMN2ALDH1A1CCR5KDM4ENPY5R
SCHEMBL2600350 0.86 CDYL (0.39) SMN1; SMN2ALDH1A1CCR5LMNANPY5R
SCHEMBL2600351 0.86 RAB9A (0.39) SMN1; SMN2ALDH1A1CCR5KDM4ENPY5R
SCHEMBL2600353 0.85 ABL1 (0.40) CCR5HTT
SCHEMBL2600349 0.85 ABL1 (0.40) CCR5HTTNPY5R
SCHEMBL2600327 0.83 USP30 (0.47) SMN1; SMN2ALDH1A1USP2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US disclosed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 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 (2 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-20120095231-A1 UREA DERIVATIVE NPY5R, NPY1R, NPY2R SMN1; SMN2 3305/4885ALDH1A1 4384/4885CCR5 2116/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R SMN1; SMN2 3391/4885ALDH1A1 4390/4885CCR5 2081/4885

“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.