SCHEMBL90871

SCHEMBL90871

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccc3Cl)n[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
ALPL P05186 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IL2 P60568 2/20 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
SCHEMBL91033 0.87 MKNK1 (0.42) KMT2AHTTKDM4EMEN1ALDH1A1
SCHEMBL90977 0.85 MEN1 (0.45) KMT2AHTTKDM4EMEN1ALDH1A1
SCHEMBL8576803 0.84 SCN9A (0.38) KMT2AHTTKDM4EMEN1ALDH1A1
SCHEMBL90870 0.84 DRD4 (0.48) KMT2AHTTMEN1CCNA2CDK2
SCHEMBL91004 0.82 DRD4 (0.57) KMT2AMAPK1HTTMEN1ALDH1A1
SCHEMBL91037 0.82 DRD4 (0.44) KMT2AMAPK1MEN1ALDH1A1CCNA2
SCHEMBL90845 0.79 HCAR2 (0.42) CCNA2CDK2CCNA1HCAR2
SCHEMBL90983 0.78 DRD2 (0.50) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL91023 0.78 MKNK1 (0.57) KMT2AHTTMEN1ALPLDRD4
SCHEMBL90995 0.77 MEN1 (0.46) KMT2AMAPK1HTTMEN1HPGD

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 KMT2A 2284/4885MAPK1 1358/4885HTT 1921/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KMT2A 2284/4885MAPK1 1358/4885HTT 1921/4885

“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.