SCHEMBL2318586

SCHEMBL2318586

CC(=O)N1CCC(CC(=O)Nc2ccc(-c3ccccc3F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
CREBBP Q92793 2/20 0.49
EPHX2 P34913 5/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NAMPT P43490 2/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR3A P46098 1/20 0.44
PAX8 Q06710 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2317814 0.91 HDAC1 (0.46) BRD4CREBBPEPHX2HDAC1HDAC2
SCHEMBL2320511 0.88 SLC1A3 (0.49) BRD4CREBBPEPHX2HDAC1HDAC2
SCHEMBL2320272 0.87 NAMPT (0.49) BRD4CREBBPEPHX2HDAC1HDAC2
SCHEMBL27859367 0.87 EPHX2 (0.53) EPHX2HDAC1HDAC2NAMPTMEN1
SCHEMBL2317806 0.86 EPHX2 (0.55) EPHX2HDAC1HDAC2NAMPTMEN1
SCHEMBL2320289 0.86 HTR3A (0.48) BRD4CREBBPEPHX2HDAC1HDAC2
SCHEMBL2321207 0.85 USP30 (0.52) BRD4CREBBPHDAC1HDAC2
SCHEMBL2320713 0.85 HDAC1 (0.53) BRD4CREBBPEPHX2HDAC1HDAC2
SCHEMBL2317338 0.83 EPHX2 (0.48) BRD4CREBBPEPHX2HDAC1HDAC2
SCHEMBL2317393 0.82 HDAC1 (0.49) BRD4CREBBPEPHX2HDAC1HDAC2

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 BRD4 1585/4885CREBBP 1869/4885EPHX2 2159/4885

“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.