SCHEMBL2323322

SCHEMBL2323322

CC(=O)N1CCC(CC(=O)Nc2cnc(-c3ccc(F)cc3F)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.47
ABL1 P00519 1/20 0.46
WNT3A P56704 5/20 0.42
FEN1 P39748 5/20 0.42
ALOX5AP P20292 4/20 0.42
NPY5R Q15761 2/20 0.40
TBK1 Q9UHD2 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL2418638 0.89 DEGS1 (0.43) DEGS1ABL1WNT3ANPY5RTBK1
SCHEMBL2319143 0.88 NPY5R (0.47) DEGS1ABL1WNT3AFEN1ALOX5AP
SCHEMBL2319121 0.84 NPY5R (0.48) DEGS1ABL1WNT3ANPY5RTBK1
SCHEMBL2419345 0.81 ABL1 (0.50) DEGS1ABL1WNT3ANPY5RHDAC1
SCHEMBL2320672 0.78 WNT3A (0.53) DEGS1ABL1WNT3ANPY5RHDAC1
SCHEMBL2317319 0.78 DEGS1 (0.45) DEGS1WNT3ANPY5RTBK1HDAC1
SCHEMBL13362250 0.78 NPY5R (0.46) DEGS1WNT3ANPY5RTBK1HDAC1
SCHEMBL2321207 0.77 USP30 (0.52) DEGS1ABL1WNT3AFEN1ALOX5AP
SCHEMBL2319777 0.77 USP30 (0.47) DEGS1NPY5RTBK1HDAC1HDAC2
SCHEMBL2320718 0.76 DEGS1 (0.43) DEGS1WNT3AHDAC1HDAC2

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 DEGS1 3961/4885ABL1 985/4885WNT3A 4719/4885

“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.