SCHEMBL5648709

SCHEMBL5648709

CC(C)(C)OC(=O)N1CCNC(CN2CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.37
MAPK1 P28482 1/20 0.37
BIRC2 Q13490 1/20 0.37
PREP P48147 1/20 0.36
CTSK P43235 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL13247613 1.00 HPGD (0.42) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL13247357 0.85 MAPT (0.39) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL7670875 0.85 OPRM1 (0.40) MEN1MAPTKMT2AMAPK1BIRC2
SCHEMBL27470540 0.85 OPRM1 (0.40) MEN1MAPTKMT2AMAPK1BIRC2
SCHEMBL8717080 0.83 OPRK1 (0.41) ALDH1A1SMN1; SMN2BIRC2RECQL
SCHEMBL1462710 0.83 NR1H2 (0.50) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL2799343 0.83 NR1H2 (0.43) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL336866 0.83 NR1H2 (0.50) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL334410 0.83 NR1H2 (0.43) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL18683 0.83 NR1H2 (0.43) HPGDMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 US disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 HPGD 2944/4885MEN1 3235/4885ALDH1A1 3861/4885

“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.