SCHEMBL2317561

SCHEMBL2317561

CC(=O)N1CCC(CC(=O)Nc2cc(-c3ccc(C)cc3)ccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.53
MAPK10 P53779 5/20 0.53
WNT3A P56704 9/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAPK14 Q16539 5/20 0.46
GSK3B P49841 1/20 0.46
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
USP30 Q70CQ3 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2317600 0.90 MAPK10 (0.62) MAPK8MAPK10WNT3AHDAC1HDAC2
SCHEMBL2317072 0.86 MAPK8 (0.52) MAPK8MAPK10WNT3AHDAC1HDAC2
SCHEMBL12283692 0.86 USP30 (0.55) WNT3AHDAC1HDAC2USP30MEN1
SCHEMBL2318039 0.83 MAPK8 (0.47) MAPK8MAPK10HDAC1HDAC2MAPK14
SCHEMBL2317284 0.83 FAAH (0.53) WNT3AHDAC1HDAC2NPC1TSHR
SCHEMBL2315666 0.77 KMT2A (0.56) WNT3AHDAC1HDAC2NPC1KMT2A
SCHEMBL27859361 0.75 HDAC1 (0.55) MAPK8MAPK10HDAC1HDAC2USP30
SCHEMBL2320672 0.74 WNT3A (0.53) WNT3AHDAC1HDAC2USP30
SCHEMBL2317904 0.74 DEGS1 (0.53) WNT3AHDAC1HDAC2USP30
SCHEMBL2315755 0.74 USP30 (0.52) WNT3AHDAC1HDAC2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272120-B Biologically active amides LUNDBECK & CO AS H 2013-12-25 CN disclosed
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 MAPK8 3499/4885MAPK10 3482/4885WNT3A 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.