SCHEMBL8306571

SCHEMBL8306571

Cc1ccc(-n2ccoc2=O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.34
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
ADCY2 Q08462 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GRM1 Q13255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRM4 Q14833 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
GRM7 Q14831 1/20 0.33
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
TP53 P04637 1/20 0.32
PMM2 O15305 2/20 0.31
G6PD P11413 2/20 0.31
MPI P34949 2/20 0.31

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
SCHEMBL8306976 0.83 NPSR1 (0.46) NPSR1HSD17B10GRM1ALDH1A1SMN1; SMN2
SCHEMBL8306645 0.81 METAP2 (0.40) NPSR1HSD17B10GRM1ALDH1A1GRM4
SCHEMBL22601569 0.72 MAP3K5 (0.45) MAP3K5NPSR1HSD17B10CCR1CCR2
SCHEMBL8303359 0.72 MAPT (0.46) CCR1CCR2FFAR4GRM1ALDH1A1
SCHEMBL8306550 0.72 MAP3K5 (0.40) MAP3K5NPSR1HSD17B10CCR1CCR2
SCHEMBL8303637 0.72 ELANE (0.43) HSD17B10ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL8311544 0.71 ALDH1A1 (0.46) MAP3K5NPSR1CCR1CCR2ADCY2
SCHEMBL28469857 0.69 MGLL (0.44) GRM1ALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL8306336 0.69 MAPK14 (0.43) MAP3K5NPSR1CCR1CCR2FFAR4
SCHEMBL16463679 0.67 RORC (0.41) MAP3K5SMN1; SMN2HPGDKDM4E

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 MAP3K5 3042/4885NPSR1 2220/4885HSD17B10 3381/4885

“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.