SCHEMBL2600339

SCHEMBL2600339

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.36
RAB9A P51151 2/20 0.36
NPY5R Q15761 2/20 0.35
MAPT P10636 1/20 0.35
USP30 Q70CQ3 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2600337 0.89 NPY5R (0.37) CCR5NPY5RMAPTPOLBALDH1A1
SCHEMBL2600351 0.88 RAB9A (0.39) CCR5RAB9ANPY5RMAPTUSP30
SCHEMBL2600343 0.87 MAPT (0.46) CCR5NPY5RMAPTALDH1A1
SCHEMBL2600348 0.86 NPY5R (0.43) CCR5RAB9ANPY5RMAPTUSP30
SCHEMBL2600327 0.85 USP30 (0.47) RAB9AMAPTUSP30ALDH1A1SMN1; SMN2
SCHEMBL2600345 0.85 CCR5 (0.39) CCR5NPY5RMAPTALDH1A1SMN1; SMN2
SCHEMBL2600353 0.83 ABL1 (0.40) CCR5RAB9APOLB
SCHEMBL2600349 0.83 ABL1 (0.40) CCR5RAB9ANPY5RPOLB
SCHEMBL2600346 0.83 NPY5R (0.43) CCR5NPY5RALDH1A1SMN1; SMN2
SCHEMBL2600358 0.83 SMN1; SMN2 (0.39) CCR5NPY5RMAPTALDH1A1SMN1; 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 CCR5 2116/4885RAB9A 3410/4885NPY5R 1/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R CCR5 2081/4885RAB9A 3449/4885NPY5R 1/4885

“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.