SCHEMBL2600329

SCHEMBL2600329

CC(C)n1c(=O)oc2cc(NC(=O)N(C)C3CCN(S(=O)(=O)C4CC4)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
KMT2A Q03164 3/20 0.39
CCR5 P51681 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 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
SCHEMBL2600330 0.92 NPY5R (0.45) NPY5RKMT2ACCR5SMN1; SMN2MAPT
SCHEMBL2600333 0.92 NPY5R (0.54) NPY5R
SCHEMBL2600344 0.91 NPY5R (0.43) NPY5RKMT2ACCR5SMN1; SMN2MAPT
SCHEMBL2600331 0.91 NPY5R (0.44) NPY5RKMT2ACCR5SMN1; SMN2MAPT
SCHEMBL2600336 0.88 MAPT (0.49) NPY5RKMT2ASMN1; SMN2MAPTMEN1
SCHEMBL2600347 0.86 UBE2M (0.45) NPY5RKMT2ACCR5SMN1; SMN2ALDH1A1
SCHEMBL2600340 0.86 SMN1; SMN2 (0.53) NPY5RKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2600343 0.86 MAPT (0.46) NPY5RCCR5MAPTALDH1A1HTT
SCHEMBL2600348 0.85 NPY5R (0.43) NPY5RCCR5SMN1; SMN2MAPTALDH1A1
SCHEMBL2600345 0.84 CCR5 (0.39) NPY5RCCR5SMN1; SMN2MAPTALDH1A1

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 NPY5R 1/4885KMT2A 3557/4885CCR5 2116/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R NPY5R 1/4885KMT2A 3489/4885CCR5 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.