SCHEMBL9951463

SCHEMBL9951463

CC(=O)NCC1COC(=O)N1c1ccc(C23CC2CN(C(=O)CNC(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
MAN2B1 O00754 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
NAMPT P43490 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
AVPR1A P37288 2/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL9951948 0.91 MGLL (0.37) MGLLALDH1A1
SCHEMBL9950570 0.90 MGLL (0.38) MGLLNAMPT
SCHEMBL9952501 0.85 MGLL (0.37) MGLL
SCHEMBL9951458 0.85 MAOA (0.43)
SCHEMBL9951540 0.78 MGLL (0.40) MGLL
SCHEMBL9951201 0.75 MGLL (0.38) MGLL
SCHEMBL10161317 0.75 MAOA (0.47)
SCHEMBL9950569 0.74 MAOA (0.46)
SCHEMBL2480117 0.74 MEN1 (0.41) MEN1ALDH1A1TSHRKMT2ASIGMAR1
SCHEMBL2733601 0.72 MGLL (0.37) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 MGLL 4807/4885MEN1 1262/4885ALDH1A1 295/4885

“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.