SCHEMBL8305604

SCHEMBL8305604

Cc1ccc(N2C(=O)CCC2(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.42
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
CTRC Q99895 1/20 0.41
MMP13 P45452 3/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
ALOX5 P09917 1/20 0.40
NOTUM Q6P988 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL29348907 0.89 LMNA (0.42) HTTLMNATNKSTNKS2TP53
SCHEMBL5370939 0.84 TNKS (0.43) TNKSTNKS2MAPTMMP13ALDH1A1
SCHEMBL29348929 0.84 MMP13 (0.58) TNKSTNKS2MMP13ALDH1A1POLB
SCHEMBL5379570 0.80 SIRT6 (0.45) HTTLMNATNKSTNKS2MAPT
SCHEMBL24746114 0.78 TNKS (0.45) TNKSTNKS2ELANEMMP13ALDH1A1
SCHEMBL29348791 0.75 POLB (0.41) HTTLMNATP53MAPTF2
SCHEMBL29348909 0.74 MMP13 (0.51) TNKSTNKS2MMP13ALDH1A1POLB
SCHEMBL28658165 0.74 MMP13 (0.42) HTTTNKSTNKS2MAPTMMP13
SCHEMBL29348908 0.74 TNKS (0.39) LMNATNKSTNKS2MMP13ALDH1A1
SCHEMBL29348904 0.74 LMNA (0.41) HTTLMNATP53MAPTF2

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 HTT 4850/4885LMNA 2107/4885TNKS 1999/4885

“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.