SCHEMBL2317814

SCHEMBL2317814

CC(=O)N1CCC(CC(=O)Nc2ccc(-c3cccc(F)c3F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
FPR1 P21462 1/20 0.44
FPR2 P25090 1/20 0.44
EPHX2 P34913 6/20 0.44
NAMPT P43490 2/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
CHRM3 P20309 1/20 0.42
NPC1 O15118 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR183 P32249 1/20 0.41

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
SCHEMBL2318586 0.91 BRD4 (0.49) HDAC1HDAC2FPR2EPHX2NAMPT
SCHEMBL2320511 0.84 SLC1A3 (0.49) HDAC1HDAC2EPHX2NAMPTBRD4
SCHEMBL2320713 0.83 HDAC1 (0.53) HDAC1HDAC2EPHX2NAMPTBRD4
SCHEMBL2320272 0.83 NAMPT (0.49) HDAC1HDAC2EPHX2NAMPTBRD4
SCHEMBL2317806 0.82 EPHX2 (0.55) HDAC1HDAC2EPHX2NAMPTNPC1
SCHEMBL2320289 0.82 HTR3A (0.48) HDAC1HDAC2FPR2EPHX2NAMPT
SCHEMBL2318111 0.82 BRD4 (0.50) HDAC1HDAC2EPHX2NAMPTBRD4
SCHEMBL2317338 0.81 EPHX2 (0.48) HDAC1HDAC2EPHX2NAMPTBRD4
SCHEMBL27859367 0.81 EPHX2 (0.53) HDAC1HDAC2EPHX2NAMPTNPC1
SCHEMBL2317393 0.80 HDAC1 (0.49) HDAC1HDAC2EPHX2NAMPTBRD4

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 HDAC1 1924/4885HDAC2 1893/4885FPR1 71/4885

“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.