SCHEMBL3645809

SCHEMBL3645809

NC(=O)C(CC1CCCC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
BCHE P06276 4/20 0.44
CCR1 P32246 2/20 0.43
MMP2 P08253 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.41
C3AR1 Q16581 1/20 0.40

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
SCHEMBL27437633 0.93 EPHX1 (0.56) EPHX1KMT2AMEN1LMNA
SCHEMBL2649973 0.87 NPY5R (0.51) EPHX1METAP2METAP1
SCHEMBL1418768 0.86 CYP2C19 (0.47) METAP2METAP1BCHECCR1MMP2
SCHEMBL1418773 0.86 CYP2C19 (0.47) METAP2METAP1BCHECCR1MMP2
SCHEMBL6508972 0.84 KMT2A (0.51) EPHX1KMT2A
SCHEMBL8136469 0.83 BCHE (0.44) KMT2AMEN1METAP2METAP1BCHE
SCHEMBL1418882 0.83 BCHE (0.44) KMT2AMEN1METAP2METAP1BCHE
SCHEMBL27466233 0.82 MEN1 (0.47) EPHX1KMT2AMEN1METAP2EPHX2
SCHEMBL1418963 0.80 SLC6A3 (0.50) KMT2AMEN1METAP2METAP1LMNA
SCHEMBL2667236 0.79 GCK (0.57) EPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A EPHX1 827/4885KMT2A 2778/4885MEN1 4875/4885

“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.