SCHEMBL91004

SCHEMBL91004

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.57
DRD2 P14416 9/20 0.51
DRD3 P35462 8/20 0.51
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
S1PR2 O95136 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.43
CCNA2 P20248 1/20 0.43

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
SCHEMBL91023 0.89 MKNK1 (0.57) DRD4DRD2DRD3HTTPOLB
SCHEMBL90870 0.88 DRD4 (0.48) DRD4DRD2DRD3HTTLMNA
SCHEMBL91037 0.88 DRD4 (0.44) DRD4DRD2DRD3MAPTLMNA
SCHEMBL91005 0.87 MEN1 (0.61) DRD4MAPTHTTLMNASMN1; SMN2
SCHEMBL90939 0.86 USP30 (0.52) DRD4HTTKMT2ACCNA2CDK2
SCHEMBL90871 0.82 KMT2A (0.44) DRD4DRD2DRD3MAPTHTT
SCHEMBL90983 0.82 DRD2 (0.50) DRD4DRD2DRD3ALDH1A1POLB
SCHEMBL8547726 0.81 MKNK1 (0.39) DRD4HTTPOLBKMT2AMEN1
SCHEMBL90995 0.81 MEN1 (0.46) DRD4DRD2DRD3MAPTHTT
SCHEMBL19805568 0.81 DRD4 (0.76) DRD4DRD2DRD3MAPTHTT

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.