SCHEMBL5458757

SCHEMBL5458757

CCCC1CCN(c2ccc(CC(=O)N3CCc4c(OC)ccc(N5CCN(C)CC5)c4C3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.42
MAPT P10636 2/20 0.41
NAMPT P43490 1/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
HTR1A P08908 3/20 0.37
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR6 P50406 2/20 0.37

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
SCHEMBL5447618 0.93 GFER (0.42) GFERMAPTNAMPTKMT2ANPC1
SCHEMBL5461787 0.90 GFER (0.50) GFERMAPTNAMPTKMT2ANPC1
SCHEMBL5458733 0.90 GFER (0.45) GFERMAPTNAMPTKMT2ANPC1
SCHEMBL5445161 0.90 GFER (0.45) GFERMAPTNAMPTKMT2ANPC1
SCHEMBL5454985 0.87 GFER (0.47) GFERMAPTNAMPTKMT2ANPC1
SCHEMBL5456699 0.86 HTT (0.47) GFERMAPTNAMPTKMT2ANPC1
SCHEMBL5458944 0.84 GFER (0.45) GFERMAPTNAMPTKMT2ANPC1
SCHEMBL5455136 0.84 NPC1 (0.49) GFERMAPTKMT2ANPC1PTGDR2
SCHEMBL5446341 0.83 MAPT (0.59) GFERMAPTKMT2ANPC1L3MBTL1
SCHEMBL5449891 0.83 GFER (0.47) GFERMAPTKMT2ANPC1PTGDR2

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-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A GFER 4719/4885MAPT 577/4885NAMPT 2909/4885

“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.