SCHEMBL8306096

SCHEMBL8306096

Cc1ccc(N2C(=O)NCC2(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.41
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
POLB P06746 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.39
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
LMNA P02545 1/20 0.37
ADRB1 P08588 1/20 0.36
HTT P42858 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL16702384 0.84 DDB1 (0.42) MAPTPOLBTP53ALDH1A1HTT
SCHEMBL6224475 0.83 MMP13 (0.40) MAPTELANEALOX5ALDH1A1LMNA
SCHEMBL16701737 0.81 SIRT6 (0.46) MAPTMAPK1POLBALDH1A1LMNA
SCHEMBL15533490 0.76 POLB (0.46) MAPTPOLB
SCHEMBL14843988 0.74 CHRNB2 (0.43) ELANE
SCHEMBL3785201 0.73 AR (0.55) MAPTMAPK1ELANEALDH1A1HTT
SCHEMBL8305604 0.70 HTT (0.45) MAPTELANEF2CTSGCMA1
SCHEMBL14844014 0.70 GRM5 (0.34)
SCHEMBL6368081 0.69 KMT2A (0.43) MAPTELANEALOX5ALDH1A1HTT
SCHEMBL3780261 0.69 PDE9A (0.38) MAPT

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 MAPT 4692/4885MAPK1 1656/4885ELANE 138/4885

“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.