SCHEMBL91037

SCHEMBL91037

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3cccc(Cl)c3)n[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.44
DRD2 P14416 6/20 0.44
DRD3 P35462 5/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
IGF1R P08069 1/20 0.41
USP30 Q70CQ3 2/20 0.40
KDM5B Q9UGL1 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL91004 0.88 DRD4 (0.57) DRD4DRD2DRD3KMT2APOLB
SCHEMBL90870 0.88 DRD4 (0.48) DRD4DRD2DRD3KMT2APOLB
SCHEMBL90995 0.87 MEN1 (0.46) DRD4DRD2DRD3KMT2APOLB
SCHEMBL90872 0.85 PLK1 (0.48) KMT2APOLBMEN1CCNA2CDK2
SCHEMBL91036 0.85 GRIA2 (0.47) DRD4DRD2DRD3KMT2APOLB
SCHEMBL90833 0.85 PIM1 (0.39) PIM1
SCHEMBL91001 0.85 USP30 (0.54) KMT2APOLBMEN1CCNA2CDK2
SCHEMBL90983 0.84 DRD2 (0.50) DRD4DRD2DRD3KMT2APOLB
SCHEMBL90906 0.82 HSD11B1 (0.39) CDK2PIM1
SCHEMBL90871 0.82 KMT2A (0.44) DRD4DRD2DRD3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DRD4 577/4885DRD2 351/4885DRD3 352/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DRD4 577/4885DRD2 351/4885DRD3 352/4885

“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.