SCHEMBL91033

SCHEMBL91033

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccc3F)n[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5AP P20292 5/20 0.38
FEN1 P39748 5/20 0.38
USP30 Q70CQ3 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CDK2 P24941 4/20 0.36
CCNA2 P20248 2/20 0.36
CCNA1 P78396 2/20 0.36
NPY5R Q15761 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL90871 0.87 KMT2A (0.44) KDM4EHTTCYP1A2CYP2C19MEN1
SCHEMBL90977 0.85 MEN1 (0.45) KDM4EHTTCYP1A2CYP2C19MEN1
SCHEMBL8576803 0.84 SCN9A (0.38) KDM4EHTTCYP1A2CYP2C19MEN1
SCHEMBL90870 0.84 DRD4 (0.48) MKNK1MKNK2HTTMEN1KMT2A
SCHEMBL91023 0.82 MKNK1 (0.57) MKNK1MKNK2HTTMEN1KMT2A
SCHEMBL90995 0.82 MEN1 (0.46) MKNK1MKNK2HTTMEN1HPGD
SCHEMBL90943 0.81 CNR1 (0.36) ALOX5APFEN1CNR1CNR2NPY5R
SCHEMBL90922 0.80 ALOX5AP (0.40) ALOX5APFEN1NPY5R
SCHEMBL90845 0.79 HCAR2 (0.42) CDK2CCNA2CCNA1NPY5R
SCHEMBL90983 0.78 DRD2 (0.50) MKNK1MKNK2CYP1A2CYP2C19MEN1

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 MKNK1 3443/4885MKNK2 2861/4885KDM4E 1623/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MKNK1 3443/4885MKNK2 2861/4885KDM4E 1623/4885

“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.