SCHEMBL2320672

SCHEMBL2320672

CC(=O)N1CCC(CC(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.53
DEGS1 O15121 2/20 0.53
NPY5R Q15761 12/20 0.52
USP30 Q70CQ3 1/20 0.50
ABL1 P00519 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
ABCB1 P08183 1/20 0.45

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
SCHEMBL2419345 0.88 ABL1 (0.50) WNT3ADEGS1NPY5RUSP30ABL1
SCHEMBL2317904 0.88 DEGS1 (0.53) WNT3ADEGS1USP30ABL1HDAC1
SCHEMBL2317072 0.86 MAPK8 (0.52) WNT3ADEGS1USP30ABL1HDAC1
SCHEMBL2322351 0.86 HDAC1 (0.46) WNT3ADEGS1NPY5RABL1HDAC1
SCHEMBL12283692 0.86 USP30 (0.55) WNT3ADEGS1USP30ABL1HDAC1
SCHEMBL2318660 0.86 NPY5R (0.52) DEGS1NPY5RUSP30ABL1ABCB1
SCHEMBL2319121 0.85 NPY5R (0.48) WNT3ADEGS1NPY5RABL1HDAC1
SCHEMBL2321207 0.84 USP30 (0.52) WNT3ADEGS1USP30ABL1HDAC1
SCHEMBL2316827 0.84 WNT3A (0.58) WNT3ADEGS1NPY5RABCB1
SCHEMBL2317393 0.84 HDAC1 (0.49) WNT3ANPY5RHDAC1HDAC2

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 WNT3A 4719/4885DEGS1 3961/4885NPY5R 1/4885

“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.