SCHEMBL2321999

SCHEMBL2321999

CS(=O)(=O)N1CCC(CC(=O)Nc2ccc(-c3ccccc3F)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.50
DEGS1 O15121 3/20 0.48
TDO2 P48775 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
F10 P00742 1/20 0.43
FEN1 P39748 5/20 0.43
ALOX5AP P20292 4/20 0.43
BDKRB1 P46663 1/20 0.41
GRIN2B Q13224 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
SCHEMBL2321207 0.86 USP30 (0.52) USP30DEGS1ABL1FEN1ALOX5AP
SCHEMBL2318660 0.85 NPY5R (0.52) USP30DEGS1TDO2ABL1
SCHEMBL2318170 0.82 ALDH1A1 (0.55) USP30DEGS1TSHRSMN1; SMN2MEN1
SCHEMBL2315755 0.75 USP30 (0.52) USP30DEGS1ABL1GRIN2B
SCHEMBL2318241 0.74 NPY5R (0.48) USP30DEGS1SMN1; SMN2ABL1
SCHEMBL2319143 0.73 NPY5R (0.47) USP30DEGS1ABL1FEN1ALOX5AP
SCHEMBL14332386 0.72 NPY5R (0.61) USP30TDO2ABL1
SCHEMBL2419345 0.72 ABL1 (0.50) USP30DEGS1ABL1
SCHEMBL2318895 0.72 RORC (0.47) USP30TSHRMEN1KMT2AALDH1A1
SCHEMBL2318008 0.71 RAB9A (0.51) USP30DEGS1TSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272120-A Biologically active amides 2011-12-07 CN 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
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 USP30 3697/4885DEGS1 3961/4885TDO2 1446/4885

“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.