SCHEMBL2315693

SCHEMBL2315693

CC(C)C(=O)N1CCC(CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
NAMPT P43490 3/20 0.50
RAB9A P51151 3/20 0.49
TPSAB1 Q15661 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
IDO1 P14902 1/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL2317806 0.86 EPHX2 (0.55) EPHX2NAMPTRAB9ATPSAB1KMT2A
SCHEMBL2322857 0.84 EPHX2 (0.56) EPHX2NAMPTKMT2AMEN1
SCHEMBL2320339 0.83 EPHX2 (0.56) EPHX2NAMPTRAB9ATPSAB1KMT2A
SCHEMBL2316963 0.81 PTPN2 (0.64) NAMPTPTPN1ALDH1A1
SCHEMBL2317254 0.80 SMN1; SMN2 (0.51) EPHX2NAMPTRAB9ATPSAB1KMT2A
SCHEMBL2320392 0.79 EPHX2 (0.54) EPHX2NAMPTRAB9ATPSAB1KMT2A
SCHEMBL19000779 0.78 EPHX2 (0.71) EPHX2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2317284 0.77 FAAH (0.53) EPHX2NAMPTRAB9AKMT2ANPC1
SCHEMBL2315871 0.76 NPC1 (0.54) EPHX2PTPN1NPC1
SCHEMBL2315666 0.76 KMT2A (0.56) NAMPTKMT2ANPC1

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 EPHX2 2159/4885NAMPT 1533/4885RAB9A 3184/4885

“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.