SCHEMBL5456699

SCHEMBL5456699

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(N3CCOCC3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GFER P55789 2/20 0.46
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
HTR1B P28222 3/20 0.41
KCNH2 Q12809 1/20 0.41
RAB9A P51151 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL5461787 0.95 GFER (0.50) HTTSMN1; SMN2GFERMAPTNPC1
SCHEMBL5454985 0.92 GFER (0.47) GFERMAPTNPC1KMT2AL3MBTL1
SCHEMBL5450082 0.90 HTT (0.46) HTTSMN1; SMN2GFERMAPTNPC1
SCHEMBL5445161 0.89 GFER (0.45) GFERMAPTNPC1KMT2AL3MBTL1
SCHEMBL5458944 0.89 GFER (0.45) SMN1; SMN2GFERMAPTNPC1KMT2A
SCHEMBL5458733 0.89 GFER (0.45) GFERMAPTNPC1KMT2AL3MBTL1
SCHEMBL5449891 0.88 GFER (0.47) SMN1; SMN2GFERMAPTNPC1KMT2A
SCHEMBL5446341 0.88 MAPT (0.59) SMN1; SMN2GFERMAPTNPC1KMT2A
SCHEMBL5456816 0.87 HTR7 (0.49) SMN1; SMN2MAPTNPC1KMT2ANAMPT
SCHEMBL5465922 0.87 L3MBTL1 (0.48) MAPTNPC1KMT2AL3MBTL1ABCB1

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 HTT 322/4885SMN1; SMN2 773/4885GFER 4719/4885

“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.