SCHEMBL8305761

SCHEMBL8305761

Cc1ccc(N2CCC(C)(C)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.42
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
METAP2 P50579 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
ALOX5 P09917 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5256770 0.84 RAB9A (0.53) RAB9ASMN1; SMN2GAAPOLBL3MBTL1
SCHEMBL6410939 0.83 HSD11B1 (0.53) RAB9ASMN1; SMN2GAAMETAP2NPC1
SCHEMBL12584934 0.81 SMN1; SMN2 (0.84) RAB9ASMN1; SMN2GAAPOLBL3MBTL1
SCHEMBL24720951 0.81 RAB9A (0.50) RAB9ASMN1; SMN2GAAPOLBL3MBTL1
SCHEMBL22900252 0.81 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2GAAPOLBL3MBTL1
SCHEMBL8327612 0.81 RAB9A (0.50) RAB9ASMN1; SMN2GAAPOLBELANE
SCHEMBL14752026 0.77 POLB (0.51) POLBDRD2DRD3
SCHEMBL8141463 0.77 POLB (0.46) RAB9ASMN1; SMN2GAAPOLBL3MBTL1
SCHEMBL6025250 0.75 ADRB1 (0.46) POLB
SCHEMBL13621938 0.74 CA12 (0.44) RAB9ASMN1; SMN2L3MBTL1

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD RAB9A 3566/4885SMN1; SMN2 2952/4885GAA 1503/4885

“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.