SCHEMBL2315871

SCHEMBL2315871

CC(=O)N1CCC(CC(=O)Nc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.53
PTPN1 P18031 1/20 0.52
EPHX2 P34913 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
FAAH O00519 1/20 0.50
MAP4K4 O95819 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL2317806 0.89 EPHX2 (0.55) NPC1POLBPTPN1EPHX2HDAC1
SCHEMBL2322735 0.86 NPC1 (0.47) NPC1TDP1POLBEPHX2KDM4E
SCHEMBL2315666 0.85 KMT2A (0.56) NPC1TDP1HDAC1HDAC2FAAH
SCHEMBL2318111 0.84 BRD4 (0.50) NPC1TDP1EPHX2HDAC1HDAC2
SCHEMBL27841742 0.84 RAB9A (0.49) NPC1TDP1EPHX2HDAC1HDAC2
SCHEMBL27859367 0.83 EPHX2 (0.53) NPC1TDP1EPHX2HDAC1HDAC2
SCHEMBL2317600 0.83 MAPK10 (0.62) HDAC1HDAC2MAPK8MAPK10TP53
SCHEMBL27859361 0.83 HDAC1 (0.55) NPC1HDAC1HDAC2MAPK8MAPK10
SCHEMBL2317905 0.82 EPHX2 (0.52) EPHX2HDAC1HDAC2BRD4CREBBP
SCHEMBL27859397 0.82 HDAC1 (0.54) POLBHDAC1HDAC2HDAC3TP53

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 NPC1 1717/4885TDP1 3042/4885POLB 4553/4885

“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.