SCHEMBL5456729

SCHEMBL5456729

COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(N(CCc3ccccc3)CCc3ccccc3)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
PTGDR2 Q9Y5Y4 9/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL5457350 0.90 NPC1 (0.45) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5445015 0.89 NPC1 (0.58) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5456289 0.88 MAPT (0.41) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5446338 0.86 KMT2A (0.52) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5452310 0.86 MAPT (0.45) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5464302 0.85 NPC1 (0.46) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5453639 0.85 NPC1 (0.48) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5454903 0.85 NPC1 (0.53) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5446453 0.84 NPC1 (0.51) KMT2ANPC1PTGDR2SIGMAR1TMEM97
SCHEMBL5458214 0.84 LMNA (0.50) KMT2ANPC1PTGDR2SIGMAR1TMEM97

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 KMT2A 1271/4885NPC1 1664/4885PTGDR2 254/4885

“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.