SCHEMBL3277772

SCHEMBL3277772

CCOC(=O)c1c(CN)c2cc(F)ccc2n1Cc1csc2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HK1 P19367 2/20 0.41
HKDC1 Q2TB90 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.40
MAPT P10636 8/20 0.39
KDM4E B2RXH2 4/20 0.39
PKM P14618 1/20 0.39
ELANE P08246 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3276437 0.94 MEN1 (0.47) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3274973 0.89 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3276514 0.86 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3275788 0.86 CA2 (0.45) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3283231 0.85 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3283233 0.85 MAPT (0.39) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3280322 0.85 KMT2A (0.56) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3279257 0.83 MEN1 (0.46) MTNR1AMTNR1BALDH1A1HK1HKDC1
SCHEMBL3275232 0.82 MEN1 (0.48) ALDH1A1HK1HKDC1MEN1KMT2A
SCHEMBL3276972 0.81 KMT2A (0.49) ALDH1A1HK1HKDC1MEN1KMT2A

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
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
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

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 259/4885ALDH1A1 827/4885

“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.