SCHEMBL2600348

SCHEMBL2600348

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.43
CCR5 P51681 2/20 0.39
EPHX2 P34913 2/20 0.39
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
USP30 Q70CQ3 2/20 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
SCHEMBL2600343 0.91 MAPT (0.46) NPY5RCCR5MAPTALDH1A1
SCHEMBL2600358 0.91 SMN1; SMN2 (0.39) NPY5RCCR5MAPTALDH1A1SMN1; SMN2
SCHEMBL2600345 0.90 CCR5 (0.39) NPY5RCCR5MAPTALDH1A1SMN1; SMN2
SCHEMBL2600351 0.89 RAB9A (0.39) NPY5RCCR5RAB9AMAPTALDH1A1
SCHEMBL2600353 0.88 ABL1 (0.40) CCR5RAB9A
SCHEMBL2600349 0.88 ABL1 (0.40) NPY5RCCR5RAB9A
SCHEMBL2600346 0.87 NPY5R (0.43) NPY5RCCR5EPHX2ALDH1A1SMN1; SMN2
SCHEMBL2600327 0.87 USP30 (0.47) RAB9AMAPTALDH1A1SMN1; SMN2USP30
SCHEMBL2600337 0.87 NPY5R (0.37) NPY5RCCR5EPHX2MAPTALDH1A1
SCHEMBL2600330 0.86 NPY5R (0.45) 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.