SCHEMBL5464302

SCHEMBL5464302

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
KMT2A Q03164 1/20 0.46
PTGDR2 Q9Y5Y4 7/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 2/20 0.44
HTR1A P08908 3/20 0.42
HTR1D P28221 3/20 0.42
HTR1B P28222 3/20 0.42
MCHR1 Q99705 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL5454903 0.93 NPC1 (0.53) NPC1KMT2APTGDR2RAB9ANAMPT
SCHEMBL5453639 0.89 NPC1 (0.48) NPC1KMT2APTGDR2NAMPTHTR1A
SCHEMBL5445015 0.88 NPC1 (0.58) NPC1KMT2APTGDR2HTR1AHTR1D
SCHEMBL5445133 0.88 CACNA1G (0.42) NPC1KMT2ANAMPTHTR1AHTR1D
SCHEMBL5445301 0.88 ABCB1 (0.49) NPC1KMT2ARAB9ANAMPTHTR1A
SCHEMBL5456835 0.87 NPC1 (0.49) NPC1KMT2APTGDR2NAMPTHTR1A
SCHEMBL5456729 0.85 KMT2A (0.48) NPC1KMT2APTGDR2TMEM97SIGMAR1
SCHEMBL5446338 0.84 KMT2A (0.52) NPC1KMT2APTGDR2HTR1AHTR1D
SCHEMBL5452393 0.84 MAPT (0.51) NPC1KMT2ARAB9ANAMPTHTR1A
SCHEMBL5453590 0.83 WDR5 (0.45) NAMPTHTR1AHTR1DHTR1BSIGMAR1

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 NPC1 1664/4885KMT2A 1271/4885PTGDR2 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.