SCHEMBL91007

SCHEMBL91007

CCS(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3cccc(F)c3)c2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.44
ATM Q13315 1/20 0.39
CCNT1 O60563 1/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
NPY5R Q15761 1/20 0.38
MAP2K7 O14733 2/20 0.38
GRM5 P41594 2/20 0.36
USP30 Q70CQ3 1/20 0.36
ADORA2A P29274 1/20 0.36
JAK1 P23458 1/20 0.35
HTR6 P50406 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL8575311 0.88 GRM5 (0.47) ATMADORA1GRM5ADORA2AJAK1
SCHEMBL90984 0.88 MAP2K4 (0.43) MAP2K4ATMADORA2BADORA1MAP2K7
SCHEMBL90927 0.88 MAP2K4 (0.43) MAP2K4ATMADORA2BADORA1MAP2K7
SCHEMBL8573299 0.77 CCNA2 (0.47) MAP2K4CCNT1NPY5RMAP2K7USP30
SCHEMBL90929 0.77 ATM (0.53) MAP2K4ATMADORA2BADORA1GRM5
SCHEMBL91008 0.76 MAP2K4 (0.41) MAP2K4ADORA1NPY5RMAP2K7GRM5
SCHEMBL8576816 0.75 GRM5 (0.46) MAP2K4ATMADORA1GRM5ADORA2A
SCHEMBL91043 0.75 GRM5 (0.46) ATMADORA1GRM5ADORA2ADRD3
SCHEMBL90926 0.75 MAP2K4 (0.47) MAP2K4MAP2K7USP30
SCHEMBL91027 0.73 MAP2K4 (0.46) MAP2K4MAP2K7

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 MAP2K4 419/4885ATM 4807/4885CCNT1 3615/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAP2K4 419/4885ATM 4807/4885CCNT1 3615/4885

“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.