SCHEMBL2320548

SCHEMBL2320548

CS(=O)(=O)N1CCC(CC(=O)Nc2ccc(-c3cc(F)cc(F)c3)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
RORC P51449 1/20 0.45
CYP11B2 P19099 4/20 0.44
MAP4K4 O95819 2/20 0.44
TP53 P04637 1/20 0.42
CYP11B1 P15538 2/20 0.42
WNT3A P56704 6/20 0.42
LMNA P02545 1/20 0.41
USP30 Q70CQ3 1/20 0.41
DEGS1 O15121 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL2417326 0.89 EPHX2 (0.44) NPY5RRORCMAP4K4WNT3ALMNA
SCHEMBL2423074 0.86 WNT3A (0.46) MAP4K4WNT3AUSP30DEGS1
SCHEMBL14019243 0.82 NPY5R (0.75) NPY5RCYP11B2TP53USP30
SCHEMBL2318660 0.81 NPY5R (0.52) NPY5RUSP30DEGS1TDO2
SCHEMBL2318895 0.80 RORC (0.47) RORCCYP11B2LMNAUSP30
SCHEMBL2316027 0.78 WNT3A (0.52) WNT3A
SCHEMBL14018580 0.75 NPY5R (0.62) NPY5RTP53WNT3AUSP30
SCHEMBL14332260 0.74 NPY5R (0.67) NPY5RWNT3A
SCHEMBL14333150 0.74 NPY5R (0.63) NPY5RWNT3AUSP30
SCHEMBL14332254 0.73 NPY5R (0.62) NPY5RWNT3AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO 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 (1 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R NPY5R 1/4885RORC 1044/4885CYP11B2 674/4885

“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.