SCHEMBL3275451

SCHEMBL3275451

COC(=O)N(C)Cc1c(C(=O)O)n(Cc2csc3ccc(F)cc23)c2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TP53 P04637 8/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.39
CA2 P00918 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL3275759 0.94 POLB (0.43) MTNR1AMTNR1BTP53MAPTPOLB
SCHEMBL3283231 0.90 MTNR1A (0.39) MTNR1AMTNR1BTP53MAPTCA2
SCHEMBL3276080 0.84 KMT2A (0.43) MTNR1AMTNR1BTP53MAPTPOLB
SCHEMBL3283116 0.83 MTNR1A (0.45) MTNR1AMTNR1BTP53MAPTPOLB
SCHEMBL3279513 0.83 MTNR1A (0.42) MTNR1AMTNR1BTP53MAPTPOLB
SCHEMBL15512951 0.83 MTNR1A (0.46) MTNR1AMTNR1BTP53MAPTPOLB
SCHEMBL3277176 0.83 PTGDR2 (0.41) TP53MAPTPOLBMEN1KMT2A
SCHEMBL3275442 0.82 POLB (0.46) MTNR1AMTNR1BTP53MAPTPOLB
SCHEMBL3277431 0.82 POLB (0.43) TP53MAPTPOLBMEN1KMT2A
SCHEMBL3275397 0.81 PTGDR2 (0.45) MTNR1AMTNR1BCA2LMNAMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP claimed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO claimed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 MTNR1A 147/4885MTNR1B 259/4885TP53 1734/4885

“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.