SCHEMBL2600331

SCHEMBL2600331

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
CCR5 P51681 4/20 0.40
EPHX2 P34913 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 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) NPY5RCCR5KMT2AMAPTALDH1A1
SCHEMBL2600333 0.92 NPY5R (0.54) NPY5R
SCHEMBL2600329 0.91 NPY5R (0.44) NPY5RCCR5KMT2AMAPTALDH1A1
SCHEMBL2600341 0.90 MAPT (0.47) NPY5RCCR5KMT2AMAPTSMN1; SMN2
SCHEMBL2600344 0.89 NPY5R (0.43) NPY5RCCR5KMT2AMAPTALDH1A1
SCHEMBL2600334 0.88 SMN1; SMN2 (0.51) NPY5RCCR5KMT2AMAPTALDH1A1
SCHEMBL2600347 0.86 UBE2M (0.45) NPY5RCCR5EPHX2KMT2AALDH1A1
SCHEMBL2600343 0.86 MAPT (0.46) NPY5RCCR5MAPTALDH1A1HTT
SCHEMBL2600348 0.85 NPY5R (0.43) NPY5RCCR5EPHX2MAPTALDH1A1
SCHEMBL2600345 0.84 CCR5 (0.39) NPY5RCCR5MAPTALDH1A1SMN1; SMN2

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 1/4885CCR5 2116/4885EPHX2 4211/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R NPY5R 1/4885CCR5 2081/4885EPHX2 4206/4885

“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.