SCHEMBL5446341

SCHEMBL5446341

COc1ccc(CC(=O)N2CCc3c(OC)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.45
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5452393 0.93 MAPT (0.51) MAPTABCB1ABCC1SMN1; SMN2GFER
SCHEMBL5456931 0.92 MAPT (0.50) MAPTABCB1ABCC1SMN1; SMN2GFER
SCHEMBL5449891 0.92 GFER (0.47) MAPTABCB1ABCC1SMN1; SMN2GFER
SCHEMBL5461787 0.92 GFER (0.50) MAPTABCB1ABCC1SMN1; SMN2GFER
SCHEMBL5465922 0.91 L3MBTL1 (0.48) MAPTABCB1ABCC1L3MBTL1NPC1
SCHEMBL5455136 0.91 NPC1 (0.49) MAPTABCB1ABCC1SMN1; SMN2GFER
SCHEMBL5456290 0.91 MAPT (0.46) MAPTABCB1ABCC1SMN1; SMN2GFER
SCHEMBL5452259 0.91 MAPT (0.46) MAPTABCB1ABCC1SMN1; SMN2GFER
SCHEMBL5445015 0.91 NPC1 (0.58) MAPTABCB1ABCC1NPC1KMT2A
Ammonia Solution, Strong SCHEMBL5452545 0.90 MAPT (0.46) MAPTABCB1ABCC1SMN1; SMN2GFER

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 MAPT 577/4885ABCB1 2319/4885ABCC1 3005/4885

“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.