SCHEMBL1998756

SCHEMBL1998756

CCN(C)Cc1cnn(-c2ccc(-c3ccc(F)cc3)c(C)c2)c1-c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.36
PGR P06401 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.34
FLT3 P36888 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP1 P29466 1/20 0.32
MAPK14 Q16539 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
MAPT P10636 3/20 0.32
NMT1 P30419 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2007394 0.90 PTGS1 (0.34) NR3C1TP53SMN1; SMN2PTGS1FLT3
SCHEMBL1998044 0.84 FLT3 (0.38) NR3C1TP53SMN1; SMN2PTGS1FLT3
SCHEMBL2006337 0.84 SMO (0.40) NR3C1PGRTP53SMN1; SMN2PTGS1
SCHEMBL2003303 0.83 HTR7 (0.38) NR3C1TP53SMN1; SMN2PTGS1FLT3
SCHEMBL2001547 0.82 SMO (0.40) NR3C1PGRTP53SMN1; SMN2PIK3R1
SCHEMBL5227418 0.79 PTGS1 (0.38) NR3C1TP53SMN1; SMN2PTGS1FLT3
SCHEMBL5226500 0.77 PTGS1 (0.36) NR3C1PGRTP53SMN1; SMN2PTGS1
SCHEMBL2000116 0.77 F10 (0.38) NR3C1PGRF2
SCHEMBL5226521 0.76 PTGS1 (0.35) NR3C1PGRTP53SMN1; SMN2PTGS1
SCHEMBL12569255 0.76 SMO (0.39) TP53SMN1; SMN2PTGS1FLT3KDM4E

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-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
EP-1611094-B1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-20 EP disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 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-20060276650-A1 Pyrazole compounds HTR1D, HTR1A, HTR3A NR3C1 233/4885PGR 220/4885TP53 2879/4885

“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.